data_global
_chemical_name_mineral 'Wollastonite-1A'
loop_
_publ_author_name
'Ohashi Y'
'Finger L W'
_journal_name_full 'Carnegie Institution of Washington: Yearbook'
_journal_volume 75 
_journal_year 1976
_journal_page_first 746
_journal_page_last 753
_publ_section_title
;
 Stepwise cation ordering in bustamite and disordering in wollastonite
;
_database_code_amcsd 0012176
_chemical_formula_sum 'Ca5.81 Mn.19 Si6 O18'
_cell_length_a 10.104
_cell_length_b 11.054
_cell_length_c 7.305
_cell_angle_alpha 99.53
_cell_angle_beta 100.56
_cell_angle_gamma 83.44
_cell_volume 788.037
_exptl_crystal_density_diffrn      2.949
_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   0.02120   0.28000   0.07720   0.97000   0.00899
Mn1   0.02120   0.28000   0.07720   0.03000   0.00899
Ca2   0.01800   0.28030   0.57120   0.97000   0.00925
Mn2   0.01800   0.28030   0.57120   0.03000   0.00925
Ca3   0.98630   0.01110   0.74970   0.46500   0.00849
Mn3   0.98630   0.01110   0.74970   0.03500   0.00849
Ca4   0.00000   0.00000   0.50000   1.00000   0.00849
Si1   0.22650   0.45850   0.88760   1.00000   0.00671
Si2   0.22660   0.45760   0.45400   1.00000   0.00684
Si3   0.22600   0.67110   0.22370   1.00000   0.00659
O1   0.11640   0.07860   0.03810   1.00000   0.01267
O2   0.11680   0.08070   0.56120   1.00000   0.01241
O3   0.11470   0.78740   0.22710   1.00000   0.00849
O4   0.11490   0.81420   0.73050   1.00000   0.01026
O5   0.12350   0.35770   0.87500   1.00000   0.01330
O6   0.12390   0.35670   0.36570   1.00000   0.01431
O7   0.22010   0.49550   0.67800   1.00000   0.01634
O8   0.18110   0.58870   0.37030   1.00000   0.01077
O9   0.18230   0.59120   0.01190   1.00000   1.06387