data_[Mg1Cu2H8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7727]
_cell_length_b [5.3038]
_cell_length_c [5.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgCu2H8Ir]
_chemical_formula_sum '[Mg1 Cu2 H8 Ir1]'
_cell_volume [117.0844]
_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  1  0.0000  0.5000  0.0000  1.0
  Cu  Cu1  2  0.5000  0.2577  0.0000  1.0
  H  H2  4  0.2506  0.2028  0.2435  1.0
  H  H3  2  0.2161  0.0000  0.7985  1.0
  H  H4  2  0.3050  0.5000  0.7854  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
]