data_[Nd12Hg4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9119]
_cell_length_b [13.1029]
_cell_length_c [10.5165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3HgP2]
_chemical_formula_sum '[Nd12 Hg4 P8]'
_cell_volume [676.8473]
_cell_formula_units_Z [4]
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  8  0.0000  0.3743  0.5493  1
  Nd  Nd1  4  0.0000  0.0934  0.7500  1
  Hg  Hg2  4  0.0000  0.2323  0.2500  1
  P  P3  4  0.0000  0.0000  0.0000  1
  P  P4  4  0.0000  0.4914  0.2500  1
]