data_[Sm1Cu2H8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [P-1]
_cell_length_a [4.5119]
_cell_length_b [4.5892]
_cell_length_c [5.3512]
_cell_angle_alpha [76.9731]
_cell_angle_beta [87.4179]
_cell_angle_gamma [87.7870]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmCu2H8Ir]
_chemical_formula_sum '[Sm1 Cu2 H8 Ir1]'
_cell_volume [107.7937]
_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
[
  Sm  Sm0  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4885  0.0372  0.2684  1.0
  H  H2  2  0.0948  0.0667  0.2879  1.0
  H  H3  2  0.2038  0.6789  0.0486  1.0
  H  H4  2  0.2845  0.2227  0.8670  1.0
  H  H5  2  0.4875  0.7103  0.5518  1.0
  Ir  Ir6  1  0.0000  0.0000  0.0000  1.0
]