data_[Nd6Sm2Y8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.6515]
_cell_length_b [7.3540]
_cell_length_c [6.3756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3SmY4]
_chemical_formula_sum '[Nd6 Sm2 Y8]'
_cell_volume [546.2885]
_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  0.2499  0.3738  0.0204  1.0
  Nd  Nd1  2  0.0000  0.3740  0.3508  1.0
  Sm  Sm2  2  0.0000  0.6273  0.8508  1.0
  Y  Y3  4  0.2496  0.8774  0.0183  1.0
  Y  Y4  2  0.0000  0.1226  0.8531  1.0
  Y  Y5  2  0.0000  0.8776  0.3526  1.0
]