data_[Hg2Rh1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9307]
_cell_length_b [2.9307]
_cell_length_c [8.5809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Hg2RhW]
_chemical_formula_sum '[Hg2 Rh1 W1]'
_cell_volume [73.7029]
_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
[
  Hg  Hg0  1  0.0000  0.0000  0.9739  1
  Hg  Hg1  1  0.5000  0.5000  0.2779  1
  Rh  Rh2  1  0.0000  0.0000  0.5285  1
  W  W3  1  0.5000  0.5000  0.7197  1
]