data_[K2Pm2Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9378]
_cell_length_b [4.3339]
_cell_length_c [10.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPmHgSe3]
_chemical_formula_sum '[K2 Pm2 Hg2 Se6]'
_cell_volume [382.2316]
_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
[
  K  K0  2  0.2137  0.7500  0.2386  1
  Pm  Pm1  2  0.3257  0.2500  0.8612  1
  Hg  Hg2  2  0.0939  0.7500  0.6124  1
  Se  Se3  2  0.0960  0.7500  0.8698  1
  Se  Se4  2  0.2361  0.2500  0.5389  1
  Se  Se5  2  0.4565  0.2500  0.1523  1
]