data_[Er12Ga4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5887]
_cell_length_b [6.2136]
_cell_length_c [9.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er3GaIr]
_chemical_formula_sum '[Er12 Ga4 Ir4]'
_cell_volume [506.7420]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.1426  0.5539  0.8532  1
  Er  Er1  4  0.1956  0.0553  0.0337  1
  Er  Er2  4  0.3895  0.6002  0.2890  1
  Ga  Ga3  4  0.4467  0.1592  0.4043  1
  Ir  Ir4  4  0.0734  0.6864  0.0962  1
]