data_SrYTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83
_cell_length_b   10.83
_cell_length_c   10.83
_cell_angle_alpha   18.19
_cell_angle_beta   18.19
_cell_angle_gamma   18.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYTa2
_chemical_formula_sum   'Sr1 Y1 Ta2'
_cell_volume   108.2
_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  0.33  1.0
  Y  Y3  1  0.0  0.0  0.46  1.0
  Ta  Ta1  1  0.0  0.0  0.5  1.0
  Ta  Ta2  1  0.0  0.0  0.65  1.0

data_SrYTa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.93
_cell_length_b   3.42
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrYTa2
_chemical_formula_sum   'Sr2 Y2 Ta4'
_cell_volume   216.41
_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  2  0.0  0.0  0.67  1.0
  Y  Y1  2  0.0  0.0  0.54  1.0
  Ta  Ta2  2  0.0  0.0  0.35  1.0
  Ta  Ta3  2  0.0  0.0  0.5  1.0

Sr Y Ta Ta
Sr Y Ta Ta 0 1 o o o 1 2 o o o 2 3 o o o 