data_global
_chemical_name_mineral 'Wollastonite-2M'
loop_
_publ_author_name
'Mamedov K S'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 107 
_journal_year 1956
_journal_page_first 463
_journal_page_last 466
_publ_section_title
;
 The crystal structure of wollastonite
;
_database_code_amcsd 0012435
_chemical_formula_sum 'Ca Si O3'
_cell_length_a 15.36
_cell_length_b 7.285
_cell_length_c 7.084
_cell_angle_alpha 90
_cell_angle_beta 95.4
_cell_angle_gamma 90
_cell_volume 789.165
_exptl_crystal_density_diffrn      2.933
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1   0.25000   0.37500   0.00000   0.00760
Ca2   0.60200   0.37500   0.26300   0.00760
Ca3   0.60200   0.87500   0.26300   0.00760
Si1   0.40600   0.08000   0.23200   0.00760
Si2   0.40600   0.67000   0.23200   0.00760
Si3   0.30000   0.37500   0.44300   0.00760
O1   0.29700   0.37500   0.66700   0.00760
O2   0.29700   0.87500   0.66700   0.00760
O3   0.34500   0.12500   0.04700   0.00760
O4   0.34500   0.62500   0.04700   0.00760
O5   0.50700   0.12500   0.22900   0.00760
O6   0.50700   0.62500   0.22900   0.00760
O7   0.36200   0.19800   0.40600   0.00760
O8   0.36200   0.55200   0.40600   0.00760
O9   0.40600   0.87500   0.23200   0.00760