data_global
_amcsd_formula_title 'Ca O4 Ti2'
loop_
_publ_author_name
'Bertaut F'
'Blum P'
_journal_name_full 'Journal de Physique et du Radium'
_journal_volume 17 
_journal_year 1956
_journal_page_first 517
_journal_page_last 518
_publ_section_title
;
 Determination de la structure de Ti2 Ca O4 par la methode statistique
 _cod_database_code 1008153
;
_database_code_amcsd 0016093
_chemical_formula_sum 'Ti2 Ca O4'
_cell_length_a 9.727
_cell_length_b 9.976
_cell_length_c 3.136
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.307
_exptl_crystal_density_diffrn      4.362
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.12600   0.06500   0.00000
Ca1   0.38400   0.25000   0.00000
O1   0.50000   0.00000   0.00000
O2   0.06000   0.25000   0.00000
O3   0.23600  -0.10000   0.00000