data_SrIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   143.53
_cell_angle_beta   131.71
_cell_angle_gamma   61.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Mo
_chemical_formula_sum   'Sr1 In2 Mo1'
_cell_volume   100.03
_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  Sr3  1  0.0  0.0  0.67  1.0
  In  In0  1  0.91  0.0  0.09  1.0
  In  In1  1  0.0  0.0  0.92  1.0
  Mo  Mo2  1  0.91  0.0  0.03  1.0

data_SrIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.0
_cell_length_c   6.11
_cell_angle_alpha   114.14
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Mo
_chemical_formula_sum   'Sr1 In2 Mo1'
_cell_volume   100.03
_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  0.0  0.67  0.67  1.0
  In  In1  1  0.0  0.09  0.18  1.0
  In  In2  1  0.0  0.92  0.92  1.0
  Mo  Mo3  1  0.0  0.03  0.11  1.0

Sr In In Mo