data_[Er2Cu1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4403]
_cell_length_b [4.7292]
_cell_length_c [8.2345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er2CuHg3]
_chemical_formula_sum '[Er2 Cu1 Hg3]'
_cell_volume [133.9748]
_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  1  0.0000  0.0000  0.4897  1.0
  Er  Er1  1  0.0000  0.5000  0.0196  1.0
  Cu  Cu2  1  0.5000  0.5000  0.3274  1.0
  Hg  Hg3  1  0.5000  0.0000  0.1807  1.0
  Hg  Hg4  1  0.5000  0.0000  0.8359  1.0
  Hg  Hg5  1  0.5000  0.5000  0.6468  1.0
]