data_SrTi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   3.01
_cell_angle_alpha   102.61
_cell_angle_beta   102.61
_cell_angle_gamma   125.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Pd
_chemical_formula_sum   'Sr1 Ti2 Pd1'
_cell_volume   83.9
_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  0.0  1.0
  Ti  Ti2  1  0.72  0.76  0.33  1.0
  Ti  Ti3  1  0.72  0.24  0.33  1.0
  Pd  Pd0  1  0.86  0.0  0.0  1.0

data_SrTi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.04
_cell_length_c   6.23
_cell_angle_alpha   113.02
_cell_angle_beta   102.61
_cell_angle_gamma   93.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Pd
_chemical_formula_sum   'Sr1 Ti2 Pd1'
_cell_volume   83.9
_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  0.0  0.0  1.0
  Ti  Ti1  1  0.09  0.76  0.48  1.0
  Ti  Ti2  1  0.56  0.24  0.95  1.0
  Pd  Pd3  1  0.0  0.0  0.86  1.0

Sr Ti Ti Pd