data_[Zr4Fe4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.1945]
_cell_length_b [7.7434]
_cell_length_c [6.6939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [ZrFeTe2]
_chemical_formula_sum '[Zr4 Fe4 Te8]'
_cell_volume [424.7507]
_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  0.2133  0.5000  0.0000  1
  Fe  Fe1  4  0.0000  0.3712  0.6524  1
  Te  Te2  4  0.0000  0.2947  0.2668  1
  Te  Te3  4  0.2500  0.1855  0.7500  1
]