data_[Pm4Ag3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7472]
_cell_length_b [5.3153]
_cell_length_c [10.6048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pm4Ag3Hg]
_chemical_formula_sum '[Pm4 Ag3 Hg1]'
_cell_volume [211.2228]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.2538  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Pm  Pm2  1  0.0000  0.0000  0.5000  1
  Ag  Ag3  2  0.5000  0.0000  0.2511  1
  Ag  Ag4  1  0.5000  0.5000  0.5000  1
  Hg  Hg5  1  0.5000  0.5000  0.0000  1
]