data_[Nd4Al3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3224]
_cell_length_b [4.5809]
_cell_length_c [11.6300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Al3In]
_chemical_formula_sum '[Nd4 Al3 In1]'
_cell_volume [230.2822]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.8558  1
  Nd  Nd1  1  0.0000  0.5000  0.3597  1
  Nd  Nd2  1  0.5000  0.0000  0.1469  1
  Nd  Nd3  1  0.5000  0.5000  0.6356  1
  Al  Al4  1  0.0000  0.0000  0.5674  1
  Al  Al5  1  0.0000  0.5000  0.0765  1
  Al  Al6  1  0.5000  0.0000  0.4324  1
  In  In7  1  0.5000  0.5000  0.9256  1
]