data_[Nd6Y2Tm8]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3862]
_cell_length_b [7.3047]
_cell_length_c [6.2746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3YTm4]
_chemical_formula_sum '[Nd6 Y2 Tm8]'
_cell_volume [521.8763]
_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  0.2493  0.3719  0.4840  1
  Nd  Nd1  2  0.0000  0.6296  0.6473  1
  Y  Y2  2  0.0000  0.3698  0.1445  1
  Tm  Tm3  4  0.2485  0.1198  0.9803  1
  Tm  Tm4  2  0.0000  0.1196  0.6478  1
  Tm  Tm5  2  0.0000  0.8791  0.1470  1
]