data_Sr2TaNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   150.18
_cell_angle_beta   125.62
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaNb
_chemical_formula_sum   'Sr2 Ta1 Nb1'
_cell_volume   120.65
_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  0.06  0.43  1.0
  Sr  Sr2  1  0.0  0.0  0.16  1.0
  Ta  Ta3  1  0.0  0.06  0.48  1.0
  Nb  Nb0  1  0.0  0.0  0.06  1.0

data_Sr2TaNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   6.13
_cell_length_c   6.7
_cell_angle_alpha   117.19
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaNb
_chemical_formula_sum   'Sr2 Ta1 Nb1'
_cell_volume   120.65
_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  0.57  0.64  0.64  1.0
  Sr  Sr1  1  0.84  0.84  0.84  1.0
  Ta  Ta2  1  0.52  0.59  0.59  1.0
  Nb  Nb3  1  0.94  0.94  0.94  1.0

Sr Sr Ta Nb
Sr Sr Ta Nb 0 2 o o o 1 3 o o o 