data_Hg2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   132.03
_cell_angle_beta   132.03
_cell_angle_gamma   70.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtW
_chemical_formula_sum   'Hg2 Pt1 W1'
_cell_volume   74.49
_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  0.1  0.0  0.11  1.0
  Hg  Hg1  1  0.0  0.1  0.11  1.0
  Pt  Pt2  1  0.0  0.0  0.23  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Hg2PtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   125.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2PtW
_chemical_formula_sum   'Hg4 Pt2 W2'
_cell_volume   148.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.45  0.99  1.0
  Pt  Pt1  2  0.27  0.5  0.77  1.0
  W  W2  2  0.0  0.0  0.0  1.0

Hg Hg Pt W