data_AlCo2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.53
_cell_angle_alpha   102.22
_cell_angle_beta   102.22
_cell_angle_gamma   42.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al1 Co2 Bi1'
_cell_volume   65.9
_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  0.0  1.0
  Co  Co2  1  0.63  0.0  0.93  1.0
  Co  Co3  1  0.04  0.0  0.45  1.0
  Bi  Bi1  1  0.34  0.0  0.69  1.0

data_AlCo2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.25
_cell_length_c   5.53
_cell_angle_alpha   102.22
_cell_angle_beta   90.0
_cell_angle_gamma   111.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Bi
_chemical_formula_sum   'Al1 Co2 Bi1'
_cell_volume   65.9
_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  0.0  1.0
  Co  Co1  1  0.0  0.37  0.07  1.0
  Co  Co2  1  0.0  0.96  0.55  1.0
  Bi  Bi3  1  0.0  0.66  0.31  1.0

Al Co Co Bi