[CIF]
data_BaCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54315494
_cell_length_b   5.54315494
_cell_length_c   4.06058821
_cell_angle_alpha   111.24501930
_cell_angle_beta   111.24501930
_cell_angle_gamma   113.08874940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Se
_chemical_formula_sum   'Ba1 Co2 Se1'
_cell_volume   86.49808482
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  3.05589136  0.00000000  0.00000000  1
  Co  Co1  1  0.19345749  -2.31236322  1.53010960  1
  Co  Co2  1  0.19345749  2.31236322  1.53010960  1
  Se  Se3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
