data_Al2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   133.68
_cell_angle_beta   133.68
_cell_angle_gamma   67.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoBi
_chemical_formula_sum   'Al2 Co1 Bi1'
_cell_volume   70.79
_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  0.03  0.0  0.15  1.0
  Al  Al1  1  0.0  0.03  0.15  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.29  1.0

data_Al2CoBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   123.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CoBi
_chemical_formula_sum   'Al4 Co2 Bi2'
_cell_volume   141.58
_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
  Al  Al0  4  0.48  0.48  0.11  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.29  1.0

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