data_Sr2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   125.01
_cell_angle_beta   125.01
_cell_angle_gamma   81.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoBi
_chemical_formula_sum   'Sr2 Co1 Bi1'
_cell_volume   116.21
_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  0.61  0.0  0.14  1.0
  Sr  Sr3  1  0.0  0.61  0.14  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.28  1.0

data_Sr2CoBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   130.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CoBi
_chemical_formula_sum   'Sr4 Co2 Bi2'
_cell_volume   232.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.2  0.2  0.53  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.28  1.0

Sr Sr Co Bi
Sr Sr Co Bi 0 3 + o o 1 3 o + o 2 3 o o o 