data_[Nd4Y4Tm2Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.0409]
_cell_length_b [5.5771]
_cell_length_c [9.6974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Nd2Y2TmSc]
_chemical_formula_sum '[Nd4 Y4 Tm2 Sc2]'
_cell_volume [380.7929]
_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  0.2500  0.0000  0.8134  1.0
  Nd  Nd1  2  0.2500  0.5000  0.3538  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Y  Y3  2  0.2500  0.0000  0.1565  1.0
  Tm  Tm4  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc5  2  0.2500  0.5000  0.6789  1.0
]