data_SrCa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   144.0
_cell_angle_beta   132.36
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Bi
_chemical_formula_sum   'Sr1 Ca2 Bi1'
_cell_volume   153.01
_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  0.0  1.0
  Ca  Ca1  1  0.19  0.0  0.61  1.0
  Ca  Ca2  1  0.0  0.86  0.49  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0

data_SrCa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   5.72
_cell_length_c   7.09
_cell_angle_alpha   113.82
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Bi
_chemical_formula_sum   'Sr1 Ca2 Bi1'
_cell_volume   153.01
_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  0.0  1.0
  Ca  Ca1  1  0.0  0.61  0.42  1.0
  Ca  Ca2  1  0.14  0.63  0.63  1.0
  Bi  Bi3  1  0.0  0.1  0.1  1.0

Sr Ca Ca Bi