data_[Sr8Pm4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5392]
_cell_length_b [16.6109]
_cell_length_c [7.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr2PmHg3]
_chemical_formula_sum '[Sr8 Pm4 Hg12]'
_cell_volume [730.6139]
_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  0.0000  0.3339  0.5000  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Sr  Sr2  2  0.0000  0.0000  0.5000  1
  Pm  Pm3  4  0.0000  0.3340  0.0000  1
  Hg  Hg4  8  0.0000  0.1716  0.2306  1
  Hg  Hg5  4  0.0000  0.5000  0.2373  1
]