data_AlCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   34.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al1 Co2 Bi1'
_cell_volume   63.73
_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
  Al  Al0  1  0.0  0.0  0.25  1.0
  Co  Co2  1  0.0  0.0  0.58  1.0
  Co  Co3  1  0.91  0.0  0.04  1.0
  Bi  Bi1  1  0.91  0.0  0.27  1.0

data_AlCo2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.83
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al1 Co2 Bi1'
_cell_volume   63.73
_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
  Al  Al0  1  0.75  0.0  0.75  1.0
  Co  Co1  1  0.42  0.0  0.42  1.0
  Co  Co2  1  0.96  0.91  0.96  1.0
  Bi  Bi3  1  0.73  0.91  0.73  1.0

Al Co Co Bi
Al Co Co Bi 0 3 - o o 0 1 o o o 0 2 - o o 1 3 - o o 2 3 o o o 