data_[Zr8Si2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8505]
_cell_length_b [5.5442]
_cell_length_c [5.8658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr4SiTe3]
_chemical_formula_sum '[Zr8 Si2 Te6]'
_cell_volume [383.5332]
_cell_formula_units_Z [2]
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  2  0.0101  0.5000  0.9888  1
  Zr  Zr1  2  0.0184  0.0000  0.5852  1
  Zr  Zr2  2  0.2127  0.0000  0.1315  1
  Zr  Zr3  2  0.2775  0.5000  0.8345  1
  Si  Si4  2  0.4970  0.5000  0.0399  1
  Te  Te5  2  0.2556  0.5000  0.3064  1
  Te  Te6  2  0.2589  0.0000  0.6842  1
  Te  Te7  2  0.4695  0.0000  0.4494  1
]