data_CrHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.06
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   33.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2W
_chemical_formula_sum   'Cr1 Hg2 W1'
_cell_volume   69.68
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.78  0.0  0.76  1.0
  Hg  Hg2  1  0.0  0.0  0.22  1.0
  W  W3  1  0.39  0.0  0.49  1.0

data_CrHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.05
_cell_length_c   5.06
_cell_angle_alpha   99.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2W
_chemical_formula_sum   'Cr1 Hg2 W1'
_cell_volume   69.68
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.22  0.24  1.0
  Hg  Hg2  1  0.0  1.0  0.78  1.0
  W  W3  1  0.0  0.61  0.51  1.0

Cr Hg Hg W
Cr Hg Hg W 0 2 o o o 0 1 - o - 1 3 o o o 2 3 o o o 