data_[Zr4Cu8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3864]
_cell_length_b [9.7150]
_cell_length_c [7.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr(CuTe3)2]
_chemical_formula_sum '[Zr4 Cu8 Te24]'
_cell_volume [1015.6543]
_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
[
  Zr  Zr0  4  0.0000  0.1602  0.7500  1
  Cu  Cu1  8  0.2118  0.4995  0.7586  1
  Te  Te2  8  0.0870  0.4346  0.9391  1
  Te  Te3  8  0.1055  0.0789  0.1424  1
  Te  Te4  8  0.1752  0.2188  0.6578  1
]