data_[Zr2Ni4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5244]
_cell_length_b [3.9165]
_cell_length_c [10.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrNi2Te3]
_chemical_formula_sum '[Zr2 Ni4 Te6]'
_cell_volume [297.3758]
_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  0.2118  0.2500  0.6975  1.0
  Ni  Ni1  2  0.0396  0.2500  0.4295  1.0
  Ni  Ni2  2  0.4145  0.7500  0.9104  1.0
  Te  Te3  2  0.0516  0.7500  0.8315  1.0
  Te  Te4  2  0.2637  0.7500  0.4888  1.0
  Te  Te5  2  0.4103  0.7500  0.1526  1.0
]