data_[Pm6Cu2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6937]
_cell_length_b [4.8549]
_cell_length_c [20.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pm3CuHg3]
_chemical_formula_sum '[Pm6 Cu2 Hg6]'
_cell_volume [362.8767]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0058  1
  Pm  Pm1  2  0.0000  0.5000  0.1865  1
  Pm  Pm2  2  0.0000  0.5000  0.8062  1
  Cu  Cu3  2  0.0000  0.0000  0.5695  1
  Hg  Hg4  2  0.0000  0.0000  0.4399  1
  Hg  Hg5  2  0.0000  0.5000  0.3522  1
  Hg  Hg6  2  0.0000  0.5000  0.6399  1
]