data_global
_amcsd_formula_title 'B2 Ca O4'
loop_
_publ_author_name
'Zachariasen W'
_journal_name_full 'Proceedings of the National Academy of Sciences'
_journal_volume 17 
_journal_year 1931
_journal_page_first 617
_journal_page_last 619
_publ_section_title
;
 The Crystal Lattice of Calcium Metaborate, Ca B2 O4
 _cod_database_code 1010437
;
_database_code_amcsd 0017360
_chemical_formula_sum 'Ca B2 O4'
_cell_length_a 6.19
_cell_length_b 11.6
_cell_length_c 4.28
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 307.321
_exptl_crystal_density_diffrn      2.717
_symmetry_space_group_name_H-M 'P n c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.25000   0.00000   0.26000
B1   0.12000   0.20000   0.88000
O1   0.12500   0.21000   0.19000
O2   0.11000   0.09000   0.75000