data_[Zr4Cu4Te8]
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 [14.9475]
_cell_length_b [4.0272]
_cell_length_c [6.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrCuTe2]
_chemical_formula_sum '[Zr4 Cu4 Te8]'
_cell_volume [408.1655]
_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  0.2493  0.0000  0.2321  1.0
  Cu  Cu1  4  0.0519  0.0000  0.1755  1.0
  Te  Te2  4  0.1219  0.0000  0.8520  1.0
  Te  Te3  4  0.1288  0.5000  0.3787  1.0
]