data_[Mn2Te8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0414]
_cell_length_b [3.8126]
_cell_length_c [18.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTe4Ir]
_chemical_formula_sum '[Mn2 Te8 Ir2]'
_cell_volume [909.3676]
_cell_formula_units_Z [2]
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  2  0.1269  0.7500  0.4976  1
  Te  Te1  2  0.0468  0.2500  0.5836  1
  Te  Te2  2  0.2019  0.2500  0.4101  1
  Te  Te3  2  0.2850  0.7500  0.5867  1
  Te  Te4  2  0.4597  0.7500  0.4237  1
  Ir  Ir5  2  0.3650  0.2500  0.5002  1
]