data_[Nd16Mg4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8289]
_cell_length_b [5.0228]
_cell_length_c [8.1628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Mg2In]
_chemical_formula_sum '[Nd16 Mg4 In2]'
_cell_volume [693.9524]
_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  0.0529  0.0000  0.7283  1.0
  Nd  Nd1  4  0.0912  0.5000  0.4442  1.0
  Nd  Nd2  4  0.1364  0.0000  0.1901  1.0
  Nd  Nd3  4  0.1798  0.5000  0.9289  1.0
  Mg  Mg4  4  0.2271  0.0000  0.6334  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]