data_BaSr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   6.27
_cell_angle_alpha   114.29
_cell_angle_beta   114.29
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Mo
_chemical_formula_sum   'Ba1 Sr2 Mo1'
_cell_volume   165.14
_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  0.22  0.0  0.55  1.0
  Sr  Sr2  1  0.62  0.0  0.32  1.0
  Sr  Sr3  1  0.59  0.0  0.26  1.0
  Mo  Mo1  1  0.1  0.0  0.38  1.0

data_BaSr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   6.27
_cell_length_c   7.46
_cell_angle_alpha   114.29
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Mo
_chemical_formula_sum   'Ba1 Sr2 Mo1'
_cell_volume   165.14
_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  0.55  0.22  1.0
  Sr  Sr1  1  0.0  0.26  0.59  1.0
  Sr  Sr2  1  0.0  0.32  0.62  1.0
  Mo  Mo3  1  0.0  0.38  0.1  1.0

Ba Sr Sr Mo