data_[Cs3Cu3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0641]
_cell_length_b [20.0451]
_cell_length_c [7.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsCuSe]
_chemical_formula_sum '[Cs3 Cu3 Se3]'
_cell_volume [975.0124]
_cell_formula_units_Z [3]
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  2  0.5146  0.3742  0.2488  1
  Cs  Cs1  1  0.1337  0.5000  0.6729  1
  Cu  Cu2  2  0.8969  0.4341  0.0073  1
  Cu  Cu3  1  0.6307  0.5000  0.7592  1
  Se  Se4  2  0.6387  0.3852  0.7798  1
  Se  Se5  1  0.1467  0.5000  0.1930  1
]