data_[Nd2Tm12In4]
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 [12.5502]
_cell_length_b [3.6859]
_cell_length_c [12.0140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Tm3In)2]
_chemical_formula_sum '[Nd2 Tm12 In4]'
_cell_volume [529.5131]
_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  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0122  0.0000  0.3481  1.0
  Tm  Tm2  4  0.1860  0.5000  0.8741  1.0
  Tm  Tm3  4  0.1891  0.5000  0.5805  1.0
  In  In4  4  0.1454  0.5000  0.2189  1.0
]