data_Cr2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   152.98
_cell_angle_beta   145.74
_cell_angle_gamma   44.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiSe
_chemical_formula_sum   'Cr2 Bi1 Se1'
_cell_volume   76.15
_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
  Cr  Cr1  1  0.0  0.0  0.28  1.0
  Cr  Cr2  1  0.56  0.0  0.92  1.0
  Bi  Bi0  1  0.0  0.97  0.63  1.0
  Se  Se3  1  0.0  0.0  0.55  1.0

data_Cr2BiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.94
_cell_length_c   6.68
_cell_angle_alpha   107.13
_cell_angle_beta   103.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiSe
_chemical_formula_sum   'Cr2 Bi1 Se1'
_cell_volume   76.15
_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
  Cr  Cr0  1  0.64  0.08  0.64  1.0
  Cr  Cr1  1  0.72  0.72  0.72  1.0
  Bi  Bi2  1  0.37  0.34  0.34  1.0
  Se  Se3  1  0.45  0.45  0.45  1.0

Cr Cr Bi Se