data_Sr2TaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   132.51
_cell_angle_beta   132.51
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaSn
_chemical_formula_sum   'Sr2 Ta1 Sn1'
_cell_volume   119.12
_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  0.44  0.0  0.49  1.0
  Sr  Sr2  1  0.0  0.44  0.49  1.0
  Ta  Ta3  1  0.0  0.0  0.99  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0

data_Sr2TaSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   124.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TaSn
_chemical_formula_sum   'Sr4 Ta2 Sn2'
_cell_volume   238.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.23  0.28  0.95  1.0
  Ta  Ta1  2  0.01  0.0  0.01  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Sr Sr Ta Sn
Sr Sr Ta Sn 0 3 o o o 0 3 + o + 0 2 o o - 0 2 + o o 1 3 o + + 1 3 o o o 1 2 o + o 1 2 o o - 2 3 o o + 