data_SrCaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   139.26
_cell_angle_beta   139.26
_cell_angle_gamma   58.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaBi2
_chemical_formula_sum   'Sr1 Ca1 Bi2'
_cell_volume   134.38
_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  0.38  0.97  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.94  1.0
  Bi  Bi1  1  0.38  0.0  0.97  1.0

data_SrCaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.83
_cell_angle_alpha   110.37
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaBi2
_chemical_formula_sum   'Sr1 Ca1 Bi2'
_cell_volume   134.38
_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  0.4  0.38  0.4  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.03  0.0  0.4  1.0
  Bi  Bi3  1  0.06  0.0  0.06  1.0

Sr Ca Bi Bi