data_Sr2TiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   146.93
_cell_angle_beta   131.39
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiAs
_chemical_formula_sum   'Sr2 Ti1 As1'
_cell_volume   122.78
_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  0.0  0.0  0.07  1.0
  Sr  Sr2  1  0.91  0.0  0.99  1.0
  Ti  Ti3  1  0.0  0.0  0.67  1.0
  As  As0  1  0.0  0.76  0.52  1.0

data_Sr2TiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.53
_cell_length_c   6.71
_cell_angle_alpha   114.31
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiAs
_chemical_formula_sum   'Sr2 Ti1 As1'
_cell_volume   122.78
_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  0.07  0.07  1.0
  Sr  Sr1  1  0.0  0.99  0.08  1.0
  Ti  Ti2  1  0.0  0.67  0.67  1.0
  As  As3  1  0.24  0.76  0.76  1.0

Sr Sr Ti As
Sr Sr Ti As 0 1 - o - 2 3 o - o 