data_[Cs4Zr4Cu4Te8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0933]
_cell_length_b [17.0804]
_cell_length_c [10.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsZrCuTe2Se]
_chemical_formula_sum '[Cs4 Zr4 Cu4 Te8 Se4]'
_cell_volume [737.0864]
_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  0.2637  0.2500  1
  Zr  Zr1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4709  0.7500  1
  Te  Te3  8  0.0000  0.3814  0.5510  1
  Se  Se4  4  0.0000  0.0522  0.7500  1
]