data_[Zr4Hg2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0278]
_cell_length_b [3.2749]
_cell_length_c [4.9355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2HgPt]
_chemical_formula_sum '[Zr4 Hg2 Pt2]'
_cell_volume [164.2136]
_cell_formula_units_Z [2]
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  0.0238  0.0000  0.0598  1
  Zr  Zr1  2  0.2515  0.0000  0.7242  1
  Hg  Hg2  2  0.4779  0.0000  0.5188  1
  Pt  Pt3  2  0.2469  0.5000  0.1972  1
]