data_[Zr4Cu8Te12]
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/m]
_cell_length_a [20.5940]
_cell_length_b [4.0929]
_cell_length_c [7.3677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrCu2Te3]
_chemical_formula_sum '[Zr4 Cu8 Te12]'
_cell_volume [613.4174]
_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  0.1452  0.0000  0.0517  1.0
  Cu  Cu1  4  0.0497  0.5000  0.1481  1.0
  Cu  Cu2  4  0.2136  0.0000  0.4242  1.0
  Te  Te3  4  0.0799  0.5000  0.8185  1.0
  Te  Te4  4  0.0842  0.0000  0.3620  1.0
  Te  Te5  4  0.2490  0.5000  0.2179  1.0
]