data_[Er5Cu4Hg1]
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 [P4/mmm]
_cell_length_a [3.5028]
_cell_length_b [3.5028]
_cell_length_c [17.4381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er5Cu4Hg]
_chemical_formula_sum '[Er5 Cu4 Hg1]'
_cell_volume [213.9614]
_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  0.5000  0.5000  0.1156  1.0
  Er  Er1  2  0.5000  0.5000  0.3072  1.0
  Er  Er2  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.2110  1.0
  Cu  Cu4  2  0.0000  0.0000  0.4034  1.0
  Hg  Hg5  1  0.0000  0.0000  0.0000  1.0
]