data_[Nd12Tm4In8]
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 [C2/m]
_cell_length_a [16.2275]
_cell_length_b [5.0297]
_cell_length_c [10.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3TmIn2]
_chemical_formula_sum '[Nd12 Tm4 In8]'
_cell_volume [738.8705]
_cell_formula_units_Z [4]
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  0.0397  0.0000  0.3586  1
  Nd  Nd1  4  0.1351  0.5000  0.6768  1
  Nd  Nd2  4  0.2092  0.5000  0.3723  1
  Tm  Tm3  4  0.1181  0.0000  0.0736  1
  In  In4  4  0.0160  0.5000  0.8705  1
  In  In5  4  0.2498  0.5000  0.0859  1
]