data_[Pm12Er4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.2838]
_cell_length_b [10.7962]
_cell_length_c [7.3576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pm3ErHg3]
_chemical_formula_sum '[Pm12 Er4 Hg12]'
_cell_volume [816.8763]
_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
[
  Pm  Pm0  4  0.0000  0.2781  0.5000  1
  Pm  Pm1  4  0.1886  0.5000  0.0000  1
  Pm  Pm2  4  0.2466  0.5000  0.5000  1
  Er  Er3  4  0.0000  0.2101  0.0000  1
  Hg  Hg4  8  0.2500  0.2500  0.2386  1
  Hg  Hg5  4  0.0000  0.0000  0.2722  1
]