data_[Ni3Te6Rh1]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6923]
_cell_length_b [6.7017]
_cell_length_c [7.4110]
_cell_angle_alpha [115.8524]
_cell_angle_beta [116.1191]
_cell_angle_gamma [90.1094]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni3Te6Rh]
_chemical_formula_sum '[Ni3 Te6 Rh1]'
_cell_volume [260.7276]
_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  1  0.5000  0.0000  0.5000  1
  Ni  Ni1  1  0.5000  0.5000  0.0000  1
  Ni  Ni2  1  0.5000  0.5000  0.5000  1
  Te  Te3  2  0.2107  0.3998  0.0999  1
  Te  Te4  2  0.2143  0.2400  0.4815  1
  Te  Te5  2  0.3985  0.8852  0.0963  1
  Rh  Rh6  1  0.0000  0.0000  0.0000  1
]