data_[Er9Mg3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3121]
_cell_length_b [5.3121]
_cell_length_c [26.0513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3MgIr8]
_chemical_formula_sum '[Er9 Mg3 Ir24]'
_cell_volume [636.6263]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0033  1.0
  Er  Er1  3  0.0000  0.0000  0.4971  1.0
  Er  Er2  3  0.0000  0.0000  0.6243  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1264  1.0
  Ir  Ir4  9  0.1668  0.3336  0.8954  1.0
  Ir  Ir5  9  0.1670  0.3339  0.3960  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3124  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8122  1.0
]