data_[Nd2Ho8Sc6]
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 [10.9262]
_cell_length_b [7.0540]
_cell_length_c [6.0792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdHo4Sc3]
_chemical_formula_sum '[Nd2 Ho8 Sc6]'
_cell_volume [468.5411]
_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  2  0.0000  0.3812  0.1490  1.0
  Ho  Ho1  4  0.2453  0.8693  0.4857  1.0
  Ho  Ho2  2  0.0000  0.1297  0.6458  1.0
  Ho  Ho3  2  0.0000  0.8693  0.1399  1.0
  Sc  Sc4  4  0.2489  0.3797  0.4793  1.0
  Sc  Sc5  2  0.0000  0.6222  0.6504  1.0
]