data_[Nd10Ho4Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1653]
_cell_length_b [3.7073]
_cell_length_c [12.2938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Ho2Mg5]
_chemical_formula_sum '[Nd10 Ho4 Mg10]'
_cell_volume [713.8765]
_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  0.0623  0.5000  0.2463  1.0
  Nd  Nd1  4  0.1692  0.5000  0.0261  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.1170  0.0000  0.7594  1.0
  Mg  Mg4  4  0.1734  0.0000  0.5018  1.0
  Mg  Mg5  4  0.2369  0.0000  0.2825  1.0
  Mg  Mg6  2  0.0000  0.0000  0.0000  1.0
]