data_[Nd6Ho2Sc8]
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 [10.9693]
_cell_length_b [7.2413]
_cell_length_c [5.9863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3HoSc4]
_chemical_formula_sum '[Nd6 Ho2 Sc8]'
_cell_volume [475.5070]
_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  0.2492  0.3608  0.4947  1.0
  Nd  Nd1  2  0.0000  0.6403  0.6353  1.0
  Ho  Ho2  2  0.0000  0.3573  0.1323  1.0
  Sc  Sc3  4  0.2477  0.1068  0.9815  1.0
  Sc  Sc4  2  0.0000  0.1063  0.6473  1.0
  Sc  Sc5  2  0.0000  0.8926  0.1478  1.0
]