data_[Nd12Te8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9374]
_cell_length_b [13.1772]
_cell_length_c [7.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Te2Ir]
_chemical_formula_sum '[Nd12 Te8 Ir4]'
_cell_volume [733.2140]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  8  0.2045  0.4305  0.4944  1
  Nd  Nd1  4  0.2500  0.2500  0.0000  1
  Te  Te2  4  0.0000  0.0804  0.7500  1
  Te  Te3  4  0.0000  0.2373  0.2500  1
  Ir  Ir4  4  0.0000  0.4090  0.7500  1
]