data_Ba2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   131.18
_cell_angle_beta   131.18
_cell_angle_gamma   71.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaW
_chemical_formula_sum   'Ba2 Ga1 W1'
_cell_volume   124.72
_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  0.94  1.0
  Ba  Ba1  1  0.0  0.51  0.47  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.51  0.0  0.47  1.0

data_Ba2GaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   6.08
_cell_angle_alpha   114.41
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaW
_chemical_formula_sum   'Ba2 Ga1 W1'
_cell_volume   124.72
_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  0.94  0.94  0.94  1.0
  Ba  Ba1  1  0.95  0.47  0.95  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.47  0.95  0.95  1.0

Ba Ba Ga W
Ba Ba Ga W 0 2 o o + 0 1 o - o 0 1 o o + 0 3 o o + 0 3 - o o 1 2 o + + 1 2 o o o 2 3 o o o 2 3 - o - 