data_[Zr2Hg2Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [6.5427]
_cell_length_b [3.7735]
_cell_length_c [9.8807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [ZrHgSe2]
_chemical_formula_sum '[Zr2 Hg2 Se4]'
_cell_volume [242.2858]
_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  1  0.0000  0.2756  0.0000  1
  Zr  Zr1  1  0.5000  0.7764  0.0000  1
  Hg  Hg2  2  0.2501  0.8160  0.4881  1
  Se  Se3  2  0.1379  0.7785  0.8363  1
  Se  Se4  2  0.3620  0.2784  0.1643  1
]