data_[Nd6Y8Er2]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5689]
_cell_length_b [7.3766]
_cell_length_c [6.3838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Y4Er]
_chemical_formula_sum '[Nd6 Y8 Er2]'
_cell_volume [544.7836]
_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  0.2498  0.3750  0.6491  1.0
  Nd  Nd1  2  0.0000  0.6263  0.4797  1.0
  Y  Y2  4  0.2479  0.1231  0.1459  1.0
  Y  Y3  2  0.0000  0.1229  0.4825  1.0
  Y  Y4  2  0.0000  0.8763  0.9818  1.0
  Er  Er5  2  0.0000  0.3716  0.9813  1.0
]