data_[Nd3Mg3Cd1In1Hg1]
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
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.6431]
_cell_length_b [7.6431]
_cell_length_c [4.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Nd3Mg3CdInHg]
_chemical_formula_sum '[Nd3 Mg3 Cd1 In1 Hg1]'
_cell_volume [240.9143]
_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  3  0.4228  0.0018  0.0000  1
  Mg  Mg1  3  0.2418  0.2381  0.5000  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  In  In3  1  0.3333  0.6667  0.5000  1
  Hg  Hg4  1  0.6667  0.3333  0.5000  1
]