data_SrCaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   4.47
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaBi2
_chemical_formula_sum   'Sr1 Ca1 Bi2'
_cell_volume   134.33
_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  Sr3  1  0.0  0.0  0.98  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.89  0.23  0.09  1.0
  Bi  Bi1  1  0.89  0.23  0.87  1.0

data_SrCaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.47
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaBi2
_chemical_formula_sum   'Sr1 Ca1 Bi2'
_cell_volume   134.33
_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  0.0  0.98  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.89  0.23  0.09  1.0
  Bi  Bi3  1  0.89  0.23  0.87  1.0

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