data_[Sr4Zn12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5480]
_cell_length_b [10.8944]
_cell_length_c [6.3443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrZn3Hg]
_chemical_formula_sum '[Sr4 Zn12 Hg4]'
_cell_volume [452.5818]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.2637  0.7500  1.0
  Zn  Zn1  8  0.2037  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.1412  0.2500  1.0
  Hg  Hg3  4  0.0000  0.3909  0.2500  1.0
]