data_[Zr4Te8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4890]
_cell_length_b [7.7185]
_cell_length_c [8.5759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZrTe2Au]
_chemical_formula_sum '[Zr4 Te8 Au4]'
_cell_volume [505.2710]
_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  0.4524  0.5485  0.1896  1
  Te  Te1  4  0.1974  0.2197  0.6082  1
  Te  Te2  4  0.2742  0.6636  0.8145  1
  Au  Au3  4  0.4113  0.1565  0.9542  1
]