data_Sr2ScTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   141.77
_cell_angle_beta   133.21
_cell_angle_gamma   61.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScTa
_chemical_formula_sum   'Sr2 Sc1 Ta1'
_cell_volume   125.67
_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  0.6  0.65  1.0
  Sr  Sr2  1  0.15  0.0  0.97  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.62  1.0

data_Sr2ScTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   5.21
_cell_length_c   6.56
_cell_angle_alpha   113.39
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScTa
_chemical_formula_sum   'Sr2 Sc1 Ta1'
_cell_volume   125.67
_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  0.97  0.82  1.0
  Sr  Sr1  1  0.4  0.05  0.05  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.62  0.62  1.0

Sr Sr Sc Ta