data_Sr2CaTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   3.49
_cell_angle_alpha   98.61
_cell_angle_beta   98.61
_cell_angle_gamma   116.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaTa
_chemical_formula_sum   'Sr2 Ca1 Ta1'
_cell_volume   138.69
_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  0.29  0.9  0.67  1.0
  Sr  Sr2  1  0.29  0.1  0.67  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.58  0.0  0.0  1.0

data_Sr2CaTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   116.63
_cell_angle_beta   98.61
_cell_angle_gamma   98.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaTa
_chemical_formula_sum   'Sr2 Ca1 Ta1'
_cell_volume   138.69
_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  0.67  0.29  0.1  1.0
  Sr  Sr1  1  0.67  0.29  0.9  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  -0.0  0.58  0.0  1.0

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