data_SrCuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   152.61
_cell_angle_beta   144.57
_cell_angle_gamma   45.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuMo
_chemical_formula_sum   'Sr1 Cu1 Mo1'
_cell_volume   64.0
_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  0.89  1.0
  Cu  Cu0  1  0.0  0.0  0.45  1.0
  Mo  Mo1  1  0.0  0.0  0.14  1.0

data_SrCuMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.79
_cell_length_c   6.22
_cell_angle_alpha   107.71
_cell_angle_beta   103.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuMo
_chemical_formula_sum   'Sr1 Cu1 Mo1'
_cell_volume   64.0
_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  0.11  0.11  0.11  1.0
  Cu  Cu1  1  0.55  0.55  0.55  1.0
  Mo  Mo2  1  0.86  0.86  0.86  1.0

Sr Cu Mo