data_[Nd2Y8Er6]
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 [11.3367]
_cell_length_b [7.3315]
_cell_length_c [6.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdY4Er3]
_chemical_formula_sum '[Nd2 Y8 Er6]'
_cell_volume [526.9968]
_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  0.3762  0.1495  1.0
  Y  Y1  4  0.2480  0.8743  0.4829  1.0
  Y  Y2  2  0.0000  0.1261  0.6471  1.0
  Y  Y3  2  0.0000  0.8742  0.1450  1.0
  Er  Er4  4  0.2498  0.6243  0.9798  1.0
  Er  Er5  2  0.0000  0.6246  0.6483  1.0
]