data_[Sr4Pr12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4349]
_cell_length_b [5.5293]
_cell_length_c [9.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPr3Hg2]
_chemical_formula_sum '[Sr4 Pr12 Hg8]'
_cell_volume [805.6388]
_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
[
  Sr  Sr0  4  0.1290  0.0000  0.1950  1.0
  Pr  Pr1  4  0.0681  0.0000  0.7148  1.0
  Pr  Pr2  4  0.1185  0.5000  0.5238  1.0
  Pr  Pr3  4  0.1949  0.5000  0.0014  1.0
  Hg  Hg4  4  0.0043  0.5000  0.1594  1.0
  Hg  Hg5  4  0.2300  0.0000  0.6100  1.0
]