data_HgAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.3
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsW2
_chemical_formula_sum   'Hg1 As1 W2'
_cell_volume   69.91
_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  Hg1  1  0.82  0.0  0.8  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.29  0.15  0.31  1.0
  W  W3  1  0.36  0.15  0.3  1.0

data_HgAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.3
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsW2
_chemical_formula_sum   'Hg1 As1 W2'
_cell_volume   69.91
_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  0.82  0.0  0.8  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.29  0.15  0.31  1.0
  W  W3  1  0.36  0.15  0.3  1.0

Hg As W W
Hg As W W 0 1 + o + 2 3 o o o 