data_[Cs4Cu4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.7297]
_cell_length_b [7.8905]
_cell_length_c [8.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsCuTe2]
_chemical_formula_sum '[Cs4 Cu4 Te8]'
_cell_volume [604.4611]
_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  0.1608  0.1448  0.7239  1.0
  Cu  Cu1  4  0.3257  0.6644  0.9108  1.0
  Te  Te2  4  0.1869  0.6697  0.5982  1.0
  Te  Te3  4  0.4893  0.0662  0.3298  1.0
]