data_BaInMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.91
_cell_length_c   3.17
_cell_angle_alpha   78.79
_cell_angle_beta   78.09
_cell_angle_gamma   23.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInMo
_chemical_formula_sum   'Ba1 In1 Mo1'
_cell_volume   76.5
_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  0.21  0.28  0.1  1.0
  In  In1  1  0.21  0.28  0.45  1.0
  Mo  Mo2  1  0.21  0.28  0.82  1.0

data_BaInMo
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.17
_cell_length_b   15.19
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaInMo
_chemical_formula_sum   'Ba2 In2 Mo2'
_cell_volume   153.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.38  1.0
  In  In1  2  0.0  0.5  0.73  1.0
  Mo  Mo2  2  0.0  0.5  0.1  1.0

Ba In Mo