data_[Nd2Ho4Sc3]
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 [P3m1]
_cell_length_a [3.5154]
_cell_length_b [3.5154]
_cell_length_c [25.5346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd2Ho4Sc3]
_chemical_formula_sum '[Nd2 Ho4 Sc3]'
_cell_volume [273.2842]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1282  1.0
  Nd  Nd1  1  0.0000  0.0000  0.9129  1.0
  Ho  Ho2  1  0.0000  0.0000  0.5673  1.0
  Ho  Ho3  1  0.0000  0.0000  0.7738  1.0
  Ho  Ho4  1  0.3333  0.6667  0.2464  1.0
  Ho  Ho5  1  0.3333  0.6667  0.4540  1.0
  Sc  Sc6  1  0.0000  0.0000  0.3500  1.0
  Sc  Sc7  1  0.3333  0.6667  0.0187  1.0
  Sc  Sc8  1  0.3333  0.6667  0.6715  1.0
]