data_[Cu8Se4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7559]
_cell_length_b [12.4081]
_cell_length_c [7.0748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2SeCl6]
_chemical_formula_sum '[Cu8 Se4 Cl24]'
_cell_volume [1158.6276]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  8  0.2285  0.4778  0.7622  1.0
  Se  Se1  4  0.0000  0.0970  0.7500  1.0
  Cl  Cl2  8  0.1056  0.2152  0.6827  1.0
  Cl  Cl3  8  0.1141  0.0707  0.1750  1.0
  Cl  Cl4  8  0.1312  0.4940  0.4567  1.0
]