data_Ba2TaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   5.72
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   92.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaMo
_chemical_formula_sum   'Ba2 Ta1 Mo1'
_cell_volume   108.28
_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  0.42  0.86  0.62  1.0
  Ba  Ba1  1  0.42  0.86  0.53  1.0
  Ta  Ta3  1  0.88  0.0  0.07  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Ba2TaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.72
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   92.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaMo
_chemical_formula_sum   'Ba2 Ta1 Mo1'
_cell_volume   108.28
_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  0.42  0.86  0.62  1.0
  Ba  Ba1  1  0.42  0.86  0.53  1.0
  Ta  Ta2  1  0.88  0.0  0.07  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ba Ba Ta Mo