data_[Mg6In1Ir5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7671]
_cell_length_b [5.9477]
_cell_length_c [7.0038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg6InIr5]
_chemical_formula_sum '[Mg6 In1 Ir5]'
_cell_volume [197.6680]
_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
[
  Mg  Mg0  4  0.2183  0.2583  0.3620  1
  Mg  Mg1  2  0.5000  0.2628  0.0000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Ir  Ir3  2  0.2790  0.5000  0.6960  1
  Ir  Ir4  2  0.3136  0.0000  0.6842  1
  Ir  Ir5  1  0.0000  0.5000  0.0000  1
]