data_[Zr1Te4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3018]
_cell_length_b [7.9823]
_cell_length_c [7.9998]
_cell_angle_alpha [78.3343]
_cell_angle_beta [78.1764]
_cell_angle_gamma [77.0379]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr(Te2Br3)2]
_chemical_formula_sum '[Zr1 Te4 Br6]'
_cell_volume [438.7400]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3012  0.4352  0.4192  1.0
  Te  Te2  2  0.4902  0.3064  0.6941  1.0
  Br  Br3  2  0.1925  0.0584  0.6781  1.0
  Br  Br4  2  0.2142  0.6805  0.0397  1.0
  Br  Br5  2  0.2433  0.1220  0.1204  1.0
]