data_[Hf4Ni8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1694]
_cell_length_b [3.8848]
_cell_length_c [7.3476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfNi2Te3]
_chemical_formula_sum '[Hf4 Ni8 Te12]'
_cell_volume [567.1250]
_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
[
  Hf  Hf0  4  0.1488  0.5000  0.0466  1.0
  Ni  Ni1  4  0.0517  0.0000  0.1422  1.0
  Ni  Ni2  4  0.2182  0.5000  0.4103  1.0
  Te  Te3  4  0.0732  0.0000  0.8103  1.0
  Te  Te4  4  0.0890  0.5000  0.3643  1.0
  Te  Te5  4  0.2451  0.5000  0.7714  1.0
]