data_global
_chemical_name_mineral 'Wollastonite'
loop_
_publ_author_name
'Ohashi Y'
'Finger L W'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 274
_journal_page_last 288
_publ_section_title
;
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample Mn-WO, from Broken Hill, New South Wales, Australia
;
_database_code_amcsd 0000621
_chemical_formula_sum '(Ca.96 Mn.04) Si O3'
_cell_length_a 10.121
_cell_length_b 11.070
_cell_length_c 7.312
_cell_angle_alpha 99.51
_cell_angle_beta 100.51
_cell_angle_gamma 83.43
_cell_volume 791.412
_exptl_crystal_density_diffrn      2.940
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1   0.02080   0.78070   0.07720   0.95000   0.00735
Mn1   0.02080   0.78070   0.07720   0.05000   0.00735
Ca2   0.01710   0.78060   0.57090   0.97000   0.00735
Mn2   0.01710   0.78060   0.57090   0.03000   0.00735
Ca3   0.01440   0.48850   0.25040   0.96000   0.00684
Mn3   0.01440   0.48850   0.25040   0.04000   0.00684
Si1   0.22650   0.95830   0.88770   1.00000   0.00532
Si2   0.22670   0.95770   0.45370   1.00000   0.00557
Si3   0.22640   0.17070   0.22360   1.00000   0.00532
Oa1   0.11630   0.57970   0.03810   1.00000   0.00963
Oa2   0.11690   0.58140   0.56110   1.00000   0.00963
Oa3   0.11490   0.31410   0.73070   1.00000   0.00861
Ob1   0.12390   0.85840   0.87450   1.00000   0.01026
Ob2   0.12300   0.85770   0.36690   1.00000   0.01115
Ob3   0.11520   0.28640   0.22670   1.00000   0.00709
Oc1   0.22110   0.99630   0.67850   1.00000   0.01292
Oc2   0.18200   0.08860   0.37040   1.00000   0.00887
Oc3   0.18270   0.09070   0.01210   1.00000   0.00925