data_[Er4Co2Hg5]
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 [P2/m]
_cell_length_a [7.5550]
_cell_length_b [3.6584]
_cell_length_c [9.1002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Co2Hg5]
_chemical_formula_sum '[Er4 Co2 Hg5]'
_cell_volume [250.5125]
_cell_formula_units_Z [1]
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  0.1767  0.5000  0.8341  1.0
  Er  Er1  2  0.2180  0.5000  0.4324  1.0
  Co  Co2  2  0.0639  0.0000  0.6231  1.0
  Hg  Hg3  2  0.1586  0.0000  0.1393  1.0
  Hg  Hg4  2  0.4446  0.0000  0.6639  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]