data_[Nd2Tm8Sc6]
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 [10.8555]
_cell_length_b [7.0131]
_cell_length_c [6.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdTm4Sc3]
_chemical_formula_sum '[Nd2 Tm8 Sc6]'
_cell_volume [460.3909]
_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  0.3804  0.1482  1.0
  Tm  Tm1  4  0.2454  0.8703  0.4855  1.0
  Tm  Tm2  2  0.0000  0.1285  0.6457  1.0
  Tm  Tm3  2  0.0000  0.8711  0.1416  1.0
  Sc  Sc4  4  0.2490  0.3782  0.4796  1.0
  Sc  Sc5  2  0.0000  0.6239  0.6497  1.0
]