data_Sr2TiCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   5.85
_cell_angle_alpha   116.21
_cell_angle_beta   116.21
_cell_angle_gamma   32.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiCo
_chemical_formula_sum   'Sr2 Ti1 Co1'
_cell_volume   114.31
_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  Sr1  1  0.51  0.0  0.31  1.0
  Sr  Sr2  1  0.95  0.0  0.82  1.0
  Ti  Ti3  1  0.04  0.0  0.16  1.0
  Co  Co0  1  0.99  0.0  0.5  1.0

data_Sr2TiCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.85
_cell_length_c   6.43
_cell_angle_alpha   116.21
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiCo
_chemical_formula_sum   'Sr2 Ti1 Co1'
_cell_volume   114.31
_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  0.31  0.51  1.0
  Sr  Sr1  1  0.0  0.82  0.95  1.0
  Ti  Ti2  1  0.0  0.16  0.04  1.0
  Co  Co3  1  0.0  0.5  0.99  1.0

Sr Sr Ti Co