data_[Mg2H8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6174]
_cell_length_b [4.3709]
_cell_length_c [5.5604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgH4Ir]
_chemical_formula_sum '[Mg2 H8 Ir2]'
_cell_volume [101.6922]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.1067  0.5628  0.8814  1
  H  H2  4  0.4561  0.2400  0.7411  1
  Ir  Ir3  2  0.5000  0.0000  0.5000  1
]