data_SrCa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Ti
_chemical_formula_sum   'Sr1 Ca2 Ti1'
_cell_volume   146.53
_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  0.62  0.0  0.83  1.0
  Ca  Ca0  1  0.62  0.0  0.39  1.0
  Ca  Ca1  1  0.0  0.0  0.97  1.0
  Ti  Ti3  1  0.0  0.0  0.49  1.0

data_SrCa2Ti
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrCa2Ti
_chemical_formula_sum   'Sr1 Ca2 Ti1'
_cell_volume   146.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.62  0.0  0.83  1.0
  Ca  Ca1  1  0.0  0.0  0.97  1.0
  Ca  Ca2  1  0.62  0.0  0.39  1.0
  Ti  Ti3  1  0.0  0.0  0.49  1.0

Sr Ca Ca Ti
Sr Ca Ca Ti 0 2 + o o 1 3 + o o 