data_[Pr4Sm4Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.0011]
_cell_length_b [11.1939]
_cell_length_c [6.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr2Sm2Hg7]
_chemical_formula_sum '[Pr4 Sm4 Hg14]'
_cell_volume [701.7182]
_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
[
  Pr  Pr0  4  0.1888  0.0000  0.5000  1
  Sm  Sm1  4  0.0000  0.2744  0.0000  1
  Hg  Hg2  8  0.2500  0.2500  0.2658  1
  Hg  Hg3  4  0.0000  0.5000  0.2712  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]