data_[Tb2Ho4Mg6Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0500]
_cell_length_b [12.5547]
_cell_length_c [7.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbHo2(MgIr)3]
_chemical_formula_sum '[Tb2 Ho4 Mg6 Ir6]'
_cell_volume [368.3320]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.5903  1
  Ho  Ho1  4  0.0000  0.2045  0.2045  1
  Mg  Mg2  4  0.5000  0.1226  0.8780  1
  Mg  Mg3  2  0.5000  0.0000  0.2443  1
  Ir  Ir4  4  0.5000  0.1675  0.4997  1
  Ir  Ir5  2  0.0000  0.0000  0.0012  1
]