data_Ba2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   5.75
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   35.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AsW
_chemical_formula_sum   'Ba2 As1 W1'
_cell_volume   124.2
_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  Ba1  1  0.34  0.0  0.34  1.0
  Ba  Ba2  1  0.22  0.0  0.81  1.0
  As  As0  1  0.15  0.0  0.4  1.0
  W  W3  1  0.25  0.0  0.45  1.0

data_Ba2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.75
_cell_length_c   6.36
_cell_angle_alpha   110.96
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AsW
_chemical_formula_sum   'Ba2 As1 W1'
_cell_volume   124.2
_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  0.34  0.34  1.0
  Ba  Ba1  1  0.0  0.81  0.22  1.0
  As  As2  1  0.0  0.4  0.15  1.0
  W  W3  1  0.0  0.45  0.25  1.0

Ba Ba As W
Ba Ba As W 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 