data_[Sr2Mg1In6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-1]
_cell_length_a [7.2881]
_cell_length_b [7.3156]
_cell_length_c [7.4386]
_cell_angle_alpha [61.0094]
_cell_angle_beta [61.8354]
_cell_angle_gamma [60.7881]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgIn6Ir]
_chemical_formula_sum '[Sr2 Mg1 In6 Ir1]'
_cell_volume [288.0255]
_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
[
  Sr  Sr0  2  0.1763  0.1813  0.4681  1
  Mg  Mg1  1  0.5000  0.5000  0.5000  1
  In  In2  2  0.1406  0.3448  0.8620  1
  In  In3  2  0.3398  0.6591  0.8583  1
  In  In4  2  0.3448  0.8593  0.1424  1
  Ir  Ir5  1  0.0000  0.0000  0.0000  1
]