data_BaInW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   2.91
_cell_angle_alpha   101.25
_cell_angle_beta   101.25
_cell_angle_gamma   118.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInW2
_chemical_formula_sum   'Ba1 In1 W2'
_cell_volume   87.48
_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  0.11  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.61  0.34  1.0
  W  W3  1  0.0  0.39  0.34  1.0

data_BaInW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.78
_cell_length_c   6.08
_cell_angle_alpha   116.9
_cell_angle_beta   101.25
_cell_angle_gamma   95.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInW2
_chemical_formula_sum   'Ba1 In1 W2'
_cell_volume   87.48
_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  0.11  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.73  0.39  0.39  1.0
  W  W3  1  0.96  0.61  0.61  1.0

Ba In W W
Ba In W W 0 1 o o o 2 3 o o o 