data_[Ni3Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0850]
_cell_length_b [17.4701]
_cell_length_c [17.4701]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni3Te4]
_chemical_formula_sum '[Ni3 Te4]'
_cell_volume [1608.3433]
_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
[
  Ni  Ni0  2  0.1364  0.0201  0.4595  1
  Ni  Ni1  1  0.5000  0.0000  0.5000  1
  Te  Te2  2  0.2022  0.8977  0.4928  1
  Te  Te3  2  0.4467  0.0283  0.3749  1
]