data_SrCa2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   131.72
_cell_angle_beta   131.72
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Ta
_chemical_formula_sum   'Sr1 Ca2 Ta1'
_cell_volume   133.63
_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  Sr2  1  0.0  0.0  0.1  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.56  0.0  0.55  1.0
  Ta  Ta3  1  0.0  0.56  0.55  1.0

data_SrCa2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   6.26
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Ta
_chemical_formula_sum   'Sr1 Ca2 Ta1'
_cell_volume   133.63
_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  0.9  0.0  0.9  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Ca  Ca2  1  0.45  0.0  0.01  1.0
  Ta  Ta3  1  0.01  0.56  0.01  1.0

Sr Ca Ca Ta