data_CsBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsBiSe2
_chemical_formula_sum   'Cs1 Bi1 Se2'
_cell_volume   152.4
_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
  Cs  Cs0  1  0.0  0.0  0.84  1.0
  Bi  Bi1  1  0.2  0.27  0.86  1.0
  Se  Se2  1  0.0  0.54  0.47  1.0
  Se  Se3  1  0.0  0.0  0.32  1.0

data_CsBiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsBiSe2
_chemical_formula_sum   'Cs1 Bi1 Se2'
_cell_volume   152.4
_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
  Cs  Cs0  1  0.0  0.0  0.84  1.0
  Bi  Bi1  1  0.2  0.27  0.86  1.0
  Se  Se2  1  0.0  0.0  0.32  1.0
  Se  Se3  1  0.0  0.54  0.47  1.0

Cs Bi Se Se