data_[K1Re1Hg3S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [7.5699]
_cell_length_b [7.5699]
_cell_length_c [7.5699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [KReHg3S4]
_chemical_formula_sum '[K1 Re1 Hg3 S4]'
_cell_volume [433.7728]
_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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  Re  Re1  1  0.5000  0.5000  0.5000  1
  Hg  Hg2  3  0.0000  0.5000  0.5000  1
  S  S3  4  0.3344  0.3344  0.3344  1
]