data_Sr2CaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaBi
_chemical_formula_sum   'Sr2 Ca1 Bi1'
_cell_volume   159.68
_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  0.91  0.55  0.05  1.0
  Sr  Sr3  1  0.91  0.45  0.05  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.83  0.0  0.0  1.0

data_Sr2CaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   106.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaBi
_chemical_formula_sum   'Sr2 Ca1 Bi1'
_cell_volume   159.68
_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  0.05  0.91  0.45  1.0
  Sr  Sr1  1  0.05  0.91  0.55  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.83  0.0  1.0

Sr Sr Ca Bi
Sr Sr Ca Bi 0 1 o o o 2 3 - o o 