data_SrCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.18
_cell_angle_alpha   105.66
_cell_angle_beta   105.66
_cell_angle_gamma   39.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoMo2
_chemical_formula_sum   'Sr1 Co1 Mo2'
_cell_volume   86.62
_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  0.53  0.0  0.83  1.0
  Co  Co0  1  0.32  0.0  0.77  1.0
  Mo  Mo1  1  0.04  0.0  0.07  1.0
  Mo  Mo2  1  0.08  0.0  0.21  1.0

data_SrCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.82
_cell_length_c   6.18
_cell_angle_alpha   105.66
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoMo2
_chemical_formula_sum   'Sr1 Co1 Mo2'
_cell_volume   86.62
_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  0.47  0.17  1.0
  Co  Co1  1  0.0  0.68  0.23  1.0
  Mo  Mo2  1  0.0  0.92  0.79  1.0
  Mo  Mo3  1  0.0  0.96  0.93  1.0

Sr Co Mo Mo
Sr Co Mo Mo 0 1 o o o 2 3 o o o 