data_[Er4Co4Hg4]
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 [C2/m]
_cell_length_a [12.7373]
_cell_length_b [3.8263]
_cell_length_c [5.0206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCoHg]
_chemical_formula_sum '[Er4 Co4 Hg4]'
_cell_volume [239.4111]
_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
[
  Er  Er0  4  0.1364  0.0000  0.3259  1.0
  Co  Co1  4  0.2318  0.0000  0.8784  1.0
  Hg  Hg2  4  0.0740  0.5000  0.7810  1.0
]