data_[Zr4Cu4Sn8Te20]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1343]
_cell_length_b [19.1248]
_cell_length_c [14.0552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ZrCuSn2Te5]
_chemical_formula_sum '[Zr4 Cu4 Sn8 Te20]'
_cell_volume [1111.3105]
_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  0.1988  0.0286  1.0
  Cu  Cu1  4  0.0000  0.4165  0.4616  1.0
  Sn  Sn2  4  0.0000  0.0878  0.2750  1.0
  Sn  Sn3  4  0.0000  0.1216  0.6442  1.0
  Te  Te4  4  0.0000  0.0470  0.0620  1.0
  Te  Te5  4  0.0000  0.2802  0.6775  1.0
  Te  Te6  4  0.0000  0.2952  0.3847  1.0
  Te  Te7  4  0.0000  0.3525  0.9974  1.0
  Te  Te8  4  0.0000  0.4755  0.2930  1.0
]