data_CsCr5Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   9.16
_cell_angle_alpha   104.3
_cell_angle_beta   104.3
_cell_angle_gamma   22.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCr5Se8
_chemical_formula_sum   'Cs1 Cr5 Se8'
_cell_volume   309.81
_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  Cs5  1  0.33  0.0  0.43  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.24  0.0  0.71  1.0
  Cr  Cr2  1  0.58  0.0  0.96  1.0
  Cr  Cr3  1  0.07  0.0  0.9  1.0
  Cr  Cr4  1  0.41  0.0  0.15  1.0
  Se  Se6  1  0.55  0.0  0.36  1.0
  Se  Se7  1  0.76  0.0  0.4  1.0
  Se  Se8  1  0.13  0.0  0.34  1.0
  Se  Se9  1  0.18  0.0  0.4  1.0
  Se  Se10  1  0.48  0.0  0.46  1.0
  Se  Se11  1  0.52  0.0  0.53  1.0
  Se  Se12  1  0.89  0.0  0.47  1.0
  Se  Se13  1  0.11  0.0  0.5  1.0

data_CsCr5Se8
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   9.16
_cell_length_c   9.66
_cell_angle_alpha   104.3
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCr5Se8
_chemical_formula_sum   'Cs1 Cr5 Se8'
_cell_volume   309.81
_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  0.43  0.33  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.15  0.41  1.0
  Cr  Cr3  1  0.0  0.71  0.24  1.0
  Cr  Cr4  1  0.0  0.9  0.07  1.0
  Cr  Cr5  1  0.0  0.96  0.58  1.0
  Se  Se6  1  0.0  0.34  0.13  1.0
  Se  Se7  1  0.0  0.36  0.55  1.0
  Se  Se8  1  0.0  0.4  0.76  1.0
  Se  Se9  1  0.0  0.4  0.18  1.0
  Se  Se10  1  0.0  0.46  0.48  1.0
  Se  Se11  1  0.0  0.47  0.89  1.0
  Se  Se12  1  0.0  0.5  0.11  1.0
  Se  Se13  1  0.0  0.53  0.52  1.0

Cs Cr Cr Cr Cr Cr Se Se Se Se Se Se Se Se