data_[Er12Hg6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.7815]
_cell_length_b [11.8208]
_cell_length_c [5.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Er6Hg3Pt]
_chemical_formula_sum '[Er12 Hg6 Pt2]'
_cell_volume [522.6741]
_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
[
  Er  Er0  4  0.0084  0.7570  0.0000  1.0
  Er  Er1  4  0.1569  0.9154  0.5000  1.0
  Er  Er2  4  0.1866  0.5871  0.5000  1.0
  Hg  Hg3  4  0.1581  0.2777  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.0000  0.0000  1.0
]