data_[Ti10In4Mo2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.6495]
_cell_length_b [10.6495]
_cell_length_c [3.1783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti5In2MoIr2]
_chemical_formula_sum '[Ti10 In4 Mo2 Ir4]'
_cell_volume [360.4544]
_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
[
  Ti  Ti0  8  0.0642  0.8098  0.5000  1
  Ti  Ti1  2  0.0000  0.5000  0.5000  1
  In  In2  4  0.1733  0.3267  0.0000  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.1322  0.6322  0.0000  1
]