data_BaHgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   152.19
_cell_angle_beta   143.58
_cell_angle_gamma   46.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgW
_chemical_formula_sum   'Ba1 Hg1 W1'
_cell_volume   81.12
_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
  Ba  Ba0  1  0.0  0.0  0.19  1.0
  Hg  Hg1  1  0.0  0.0  0.67  1.0
  W  W2  1  0.0  0.0  0.58  1.0

data_BaHgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.16
_cell_length_c   6.65
_cell_angle_alpha   108.21
_cell_angle_beta   103.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgW
_chemical_formula_sum   'Ba1 Hg1 W1'
_cell_volume   81.12
_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
  Ba  Ba0  1  0.81  0.81  0.81  1.0
  Hg  Hg1  1  0.33  0.33  0.33  1.0
  W  W2  1  0.42  0.42  0.42  1.0

Ba Hg W