data_BaMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.19
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2W
_chemical_formula_sum   'Ba1 Mo2 W1'
_cell_volume   94.51
_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  0.68  0.0  0.54  1.0
  Mo  Mo1  1  1.0  0.1  0.73  1.0
  Mo  Mo2  1  0.99  0.0  0.85  1.0
  W  W3  1  0.89  0.1  0.96  1.0

data_BaMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.19
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo2W
_chemical_formula_sum   'Ba1 Mo2 W1'
_cell_volume   94.51
_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  0.68  0.0  0.54  1.0
  Mo  Mo1  1  0.99  0.0  0.85  1.0
  Mo  Mo2  1  1.0  0.1  0.73  1.0
  W  W3  1  0.89  0.1  0.96  1.0

Ba Mo Mo W
Ba Mo Mo W 0 1 o o o 1 2 o o o 2 3 o o o 