data_[Ga1Co1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0361]
_cell_length_b [5.0361]
_cell_length_c [5.0361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [GaCoHg3]
_chemical_formula_sum '[Ga1 Co1 Hg3]'
_cell_volume [127.7265]
_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
[
  Ga  Ga0  1  0.5000  0.5000  0.5000  1
  Co  Co1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  3  0.0000  0.0000  0.5000  1
]