data_[Nd2Ho6Sc2]
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 [P2_1/m]
_cell_length_a [6.1800]
_cell_length_b [5.5577]
_cell_length_c [9.4528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdHo3Sc]
_chemical_formula_sum '[Nd2 Ho6 Sc2]'
_cell_volume [307.1666]
_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  0.0702  0.2500  0.7991  1.0
  Ho  Ho1  2  0.1414  0.7500  0.5940  1.0
  Ho  Ho2  2  0.2749  0.2500  0.2100  1.0
  Ho  Ho3  2  0.3368  0.7500  0.0045  1.0
  Sc  Sc4  2  0.4630  0.2500  0.5943  1.0
]