data_[Zr4Zn2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5641]
_cell_length_b [3.1189]
_cell_length_c [9.7194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4Zn2Hg5]
_chemical_formula_sum '[Zr4 Zn2 Hg5]'
_cell_volume [228.6306]
_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
[
  Zr  Zr0  2  0.1589  0.5000  0.8779  1.0
  Zr  Zr1  2  0.2661  0.5000  0.4466  1.0
  Zn  Zn2  2  0.0557  0.0000  0.6293  1.0
  Hg  Hg3  2  0.1841  0.0000  0.1636  1.0
  Hg  Hg4  2  0.4320  0.0000  0.6946  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]