data_[Re1Ni1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1821]
_cell_length_b [3.6214]
_cell_length_c [19.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReNiTe4]
_chemical_formula_sum '[Re1 Ni1 Te4]'
_cell_volume [430.1454]
_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
[
  Re  Re0  1  0.9596  0.0000  0.5143  1
  Ni  Ni1  1  0.3138  0.5000  0.4760  1
  Te  Te2  1  0.1847  0.0000  0.3935  1
  Te  Te3  1  0.3612  0.0000  0.5653  1
  Te  Te4  1  0.7163  0.5000  0.4382  1
  Te  Te5  1  0.8650  0.5000  0.6128  1
]