data_Sr2CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   6.05
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   44.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrCo
_chemical_formula_sum   'Sr2 Cr1 Co1'
_cell_volume   110.88
_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  0.16  0.0  0.11  1.0
  Sr  Sr3  1  0.07  0.0  0.68  1.0
  Cr  Cr1  1  0.05  0.0  0.48  1.0
  Co  Co0  1  0.12  0.0  0.37  1.0

data_Sr2CrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.38
_cell_length_c   6.05
_cell_angle_alpha   113.47
_cell_angle_beta   90.0
_cell_angle_gamma   112.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrCo
_chemical_formula_sum   'Sr2 Cr1 Co1'
_cell_volume   110.88
_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  0.84  0.89  1.0
  Sr  Sr1  1  0.0  0.93  0.32  1.0
  Cr  Cr2  1  0.0  0.95  0.52  1.0
  Co  Co3  1  0.0  0.88  0.63  1.0

Sr Sr Cr Co
Sr Sr Cr Co 0 3 o o o 1 2 o o o 2 3 o o o 