data_[Pm4Er12Hg4]
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 [C2/m]
_cell_length_a [11.2130]
_cell_length_b [7.3270]
_cell_length_c [7.9329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmEr3Hg]
_chemical_formula_sum '[Pm4 Er12 Hg4]'
_cell_volume [601.7602]
_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  0.0519  0.0000  0.2361  1
  Er  Er1  8  0.1621  0.2522  0.6414  1
  Er  Er2  4  0.0590  0.5000  0.2443  1
  Hg  Hg3  4  0.2379  0.5000  0.0008  1
]