data_[Er8Ga4Ir8]
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 [C2/c]
_cell_length_a [10.0122]
_cell_length_b [5.3869]
_cell_length_c [7.7326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2GaIr2]
_chemical_formula_sum '[Er8 Ga4 Ir8]'
_cell_volume [403.1438]
_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  8  0.1452  0.3488  0.1486  1.0
  Ga  Ga1  4  0.0000  0.1377  0.7500  1.0
  Ir  Ir2  8  0.1349  0.1464  0.5095  1.0
]