data_[Er4In6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1103]
_cell_length_b [4.3862]
_cell_length_c [7.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2In3Ir2]
_chemical_formula_sum '[Er4 In6 Ir4]'
_cell_volume [305.1816]
_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
[
  Er  Er0  4  0.1529  0.0000  0.7977  1.0
  In  In1  4  0.1308  0.5000  0.4496  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1471  0.0000  0.1924  1.0
]