data_[Mn8Ni8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [16.6316]
_cell_length_b [3.6939]
_cell_length_c [8.0527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnNiTe]
_chemical_formula_sum '[Mn8 Ni8 Te8]'
_cell_volume [491.1032]
_cell_formula_units_Z [8]
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
[
  Mn  Mn0  4  0.2402  0.5000  0.8699  1
  Mn  Mn1  4  0.2488  0.0000  0.6232  1
  Ni  Ni2  4  0.1533  0.5000  0.5890  1
  Ni  Ni3  4  0.1628  0.5000  0.1108  1
  Te  Te4  4  0.0751  0.5000  0.8330  1
  Te  Te5  4  0.1239  0.0000  0.3411  1
]