data_[Cs4Lu8Cu4Se12S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0645]
_cell_length_b [14.3794]
_cell_length_c [14.1580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsLu2CuSe3S]
_chemical_formula_sum '[Cs4 Lu8 Cu4 Se12 S4]'
_cell_volume [827.4680]
_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
[
  Cs  Cs0  4  0.0000  0.3975  0.7500  1
  Lu  Lu1  8  0.0000  0.1330  0.5681  1
  Cu  Cu2  4  0.0000  0.3372  0.2500  1
  Se  Se3  8  0.0000  0.2414  0.1049  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
  S  S5  4  0.0000  0.0827  0.7500  1
]