data_[Nd6Ho8Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3651]
_cell_length_b [7.2236]
_cell_length_c [6.2308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Ho4Sc]
_chemical_formula_sum '[Nd6 Ho8 Sc2]'
_cell_volume [511.5303]
_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  0.2494  0.3763  0.4791  1.0
  Nd  Nd1  2  0.0000  0.6275  0.6481  1.0
  Ho  Ho2  4  0.2446  0.1241  0.9847  1.0
  Ho  Ho3  2  0.0000  0.1223  0.6455  1.0
  Ho  Ho4  2  0.0000  0.8766  0.1502  1.0
  Sc  Sc5  2  0.0000  0.3695  0.1439  1.0
]