data_[Nd8Sm2Tm6]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.6209]
_cell_length_b [7.2914]
_cell_length_c [6.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4SmTm3]
_chemical_formula_sum '[Nd8 Sm2 Tm6]'
_cell_volume [535.0242]
_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  0.2452  0.8733  0.4821  1.0
  Nd  Nd1  2  0.0000  0.1305  0.6532  1.0
  Nd  Nd2  2  0.0000  0.8699  0.1389  1.0
  Sm  Sm3  2  0.0000  0.3762  0.1508  1.0
  Tm  Tm4  4  0.2499  0.6195  0.9804  1.0
  Tm  Tm5  2  0.0000  0.6188  0.6474  1.0
]