data_[Sr1Ga2Re1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9245]
_cell_length_b [4.9245]
_cell_length_c [5.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SrGa2ReHg]
_chemical_formula_sum '[Sr1 Ga2 Re1 Hg1]'
_cell_volume [138.5928]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1
  Ga  Ga1  2  0.0000  0.5000  0.0000  1
  Re  Re2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  1  0.5000  0.5000  0.5000  1
]