data_SrCu2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.52
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   110.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Bi
_chemical_formula_sum   'Sr1 Cu2 Bi1'
_cell_volume   95.97
_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  0.28  0.0  0.51  1.0
  Cu  Cu1  1  0.71  0.0  0.35  1.0
  Cu  Cu2  1  0.27  0.26  0.64  1.0
  Bi  Bi0  1  0.53  0.26  0.82  1.0

data_SrCu2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.69
_cell_length_c   4.84
_cell_angle_alpha   110.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Bi
_chemical_formula_sum   'Sr1 Cu2 Bi1'
_cell_volume   95.97
_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  0.72  0.49  1.0
  Cu  Cu1  1  0.0  0.29  0.65  1.0
  Cu  Cu2  1  0.74  0.73  0.36  1.0
  Bi  Bi3  1  0.74  0.47  0.18  1.0

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