data_Cs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   131.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2Se
_chemical_formula_sum   'Cs4 Se2'
_cell_volume   277.81
_cell_formula_units_Z   2
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  0.0  1.0
  Cs  Cs1  1  0.0  0.0  0.24  1.0
  Cs  Cs2  1  0.72  0.33  0.35  1.0
  Cs  Cs3  1  0.72  0.67  0.12  1.0
  Se  Se4  1  0.72  0.53  0.35  1.0
  Se  Se5  1  0.72  0.47  0.12  1.0

data_Cs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   6.62
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2Se
_chemical_formula_sum   'Cs4 Se2'
_cell_volume   277.81
_cell_formula_units_Z   2
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  0.0  1.0
  Cs  Cs1  1  0.0  0.0  0.24  1.0
  Cs  Cs2  1  0.33  0.05  0.12  1.0
  Cs  Cs3  1  0.67  0.39  0.35  1.0
  Se  Se4  1  0.47  0.19  0.35  1.0
  Se  Se5  1  0.53  0.25  0.12  1.0

Cs Cs Cs Cs Se Se