data_[Cs4Lu4Zn4Se12]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1249]
_cell_length_b [16.2917]
_cell_length_c [10.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsLuZnSe3]
_chemical_formula_sum '[Cs4 Lu4 Zn4 Se12]'
_cell_volume [729.5513]
_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  0.2556  0.2500  1.0
  Lu  Lu1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.4626  0.7500  1.0
  Se  Se3  8  0.0000  0.3863  0.5555  1.0
  Se  Se4  4  0.0000  0.0552  0.7500  1.0
]