data_[Nd8Tm6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4034]
_cell_length_b [7.2484]
_cell_length_c [6.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4Tm3Sc]
_chemical_formula_sum '[Nd8 Tm6 Sc2]'
_cell_volume [514.3025]
_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  0.2406  0.1323  0.9875  1.0
  Nd  Nd1  2  0.0000  0.1305  0.6303  1.0
  Nd  Nd2  2  0.0000  0.8651  0.1566  1.0
  Tm  Tm3  4  0.2496  0.6160  0.9784  1.0
  Tm  Tm4  2  0.0000  0.6196  0.6509  1.0
  Sc  Sc5  2  0.0000  0.3886  0.1457  1.0
]