data_[Nd8Er2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2271]
_cell_length_b [7.2278]
_cell_length_c [6.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4ErSc3]
_chemical_formula_sum '[Nd8 Er2 Sc6]'
_cell_volume [494.6381]
_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  0.2447  0.6346  0.6149  1.0
  Nd  Nd1  2  0.0000  0.1124  0.2732  1.0
  Nd  Nd2  2  0.0000  0.6380  0.2570  1.0
  Er  Er3  2  0.0000  0.3654  0.7658  1.0
  Sc  Sc4  4  0.2459  0.1146  0.6072  1.0
  Sc  Sc5  2  0.0000  0.8852  0.7750  1.0
]