data_[La7Nd3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.2249]
_cell_length_b [7.2249]
_cell_length_c [8.8187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La7Nd3In]
_chemical_formula_sum '[La7 Nd3 In1]'
_cell_volume [398.6587]
_cell_formula_units_Z [1]
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
[
  La  La0  3  0.1626  0.8374  0.8770  1
  La  La1  3  0.5020  0.0039  0.5528  1
  La  La2  1  0.6667  0.3333  0.8890  1
  Nd  Nd3  3  0.3338  0.1669  0.2210  1
  In  In4  1  0.0000  0.0000  0.5435  1
]