data_[Nd8Ho2Sc6]
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 [11.2298]
_cell_length_b [7.1848]
_cell_length_c [6.1283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4HoSc3]
_chemical_formula_sum '[Nd8 Ho2 Sc6]'
_cell_volume [494.4592]
_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  0.8733  0.6052  1.0
  Nd  Nd1  2  0.0000  0.3823  0.2746  1.0
  Nd  Nd2  2  0.0000  0.8665  0.2640  1.0
  Ho  Ho3  2  0.0000  0.6184  0.7802  1.0
  Sc  Sc4  4  0.2444  0.3784  0.6119  1.0
  Sc  Sc5  2  0.0000  0.1314  0.7623  1.0
]