data_Sr2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   131.24
_cell_angle_beta   131.24
_cell_angle_gamma   71.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BMo
_chemical_formula_sum   'Sr2 B1 Mo1'
_cell_volume   87.61
_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
  Sr  Sr2  1  0.0  0.0  0.39  1.0
  Sr  Sr3  1  0.0  0.23  0.2  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.23  0.0  0.2  1.0

data_Sr2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.41
_cell_angle_alpha   114.38
_cell_angle_beta   114.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BMo
_chemical_formula_sum   'Sr2 B1 Mo1'
_cell_volume   87.61
_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
  Sr  Sr0  1  0.39  0.39  0.39  1.0
  Sr  Sr1  1  0.96  0.2  0.96  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.2  0.96  0.96  1.0

Sr Sr B Mo
Sr Sr B Mo 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 