data_[Nd6Tm8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2407]
_cell_length_b [7.0754]
_cell_length_c [6.1991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Tm4In]
_chemical_formula_sum '[Nd6 Tm8 In2]'
_cell_volume [493.0283]
_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  0.2370  0.6168  0.9742  1
  Nd  Nd1  2  0.0000  0.6276  0.6249  1
  Tm  Tm2  4  0.2406  0.1217  0.9876  1
  Tm  Tm3  2  0.0000  0.1267  0.6484  1
  Tm  Tm4  2  0.0000  0.8825  0.1656  1
  In  In5  2  0.0000  0.3560  0.1528  1
]