data_[Nd4Mg2Ta4Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.5106]
_cell_length_b [10.5106]
_cell_length_c [3.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nd2MgTa2Ir5]
_chemical_formula_sum '[Nd4 Mg2 Ta4 Ir10]'
_cell_volume [388.5753]
_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
[
  Nd  Nd0  4  0.1732  0.3268  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Ta  Ta2  4  0.1323  0.6323  0.0000  1
  Ir  Ir3  8  0.0556  0.7996  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
]