data_SrFeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   150.05
_cell_angle_beta   149.06
_cell_angle_gamma   43.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeMo
_chemical_formula_sum   'Sr1 Fe1 Mo1'
_cell_volume   63.68
_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  0.77  1.0
  Fe  Fe0  1  0.0  0.0  1.0  1.0
  Mo  Mo1  1  0.0  0.0  0.59  1.0

data_SrFeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.36
_cell_length_c   6.29
_cell_angle_alpha   105.47
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeMo
_chemical_formula_sum   'Sr1 Fe1 Mo1'
_cell_volume   63.68
_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  0.23  0.23  0.23  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.41  0.41  0.41  1.0

Sr Fe Mo