data_[Er6Co2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4516]
_cell_length_b [6.4250]
_cell_length_c [8.1942]
_cell_angle_alpha [70.0661]
_cell_angle_beta [77.8835]
_cell_angle_gamma [65.4726]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3CoHg]
_chemical_formula_sum '[Er6 Co2 Hg2]'
_cell_volume [244.6846]
_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  2  0.1308  0.0352  0.7758  1
  Er  Er1  2  0.1362  0.3180  0.3098  1
  Er  Er2  2  0.4666  0.3366  0.8814  1
  Co  Co3  2  0.0561  0.6652  0.0186  1
  Hg  Hg4  2  0.3896  0.7651  0.4802  1
]