data_[Pr12Sm8Hg4]
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 [C2/m]
_cell_length_a [6.2746]
_cell_length_b [10.9035]
_cell_length_c [11.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm2Hg]
_chemical_formula_sum '[Pr12 Sm8 Hg4]'
_cell_volume [786.6979]
_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
[
  Pr  Pr0  8  0.2496  0.3286  0.7592  1
  Pr  Pr1  4  0.2367  0.5000  0.2399  1
  Sm  Sm2  4  0.0000  0.1635  0.5000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Sm  Sm4  2  0.0000  0.5000  0.5000  1
  Hg  Hg5  4  0.0000  0.3326  0.0000  1
]