data_Al2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.09
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoBi
_chemical_formula_sum   'Al2 Co1 Bi1'
_cell_volume   77.65
_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  0.12  0.04  0.98  1.0
  Al  Al1  1  0.17  0.04  0.72  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.14  0.0  0.35  1.0

data_Al2CoBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.09
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoBi
_chemical_formula_sum   'Al2 Co1 Bi1'
_cell_volume   77.65
_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  0.12  0.04  0.98  1.0
  Al  Al1  1  0.17  0.04  0.72  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.14  0.0  0.35  1.0

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