data_Li2CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.44
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoBi
_chemical_formula_sum   'Li2 Co1 Bi1'
_cell_volume   72.94
_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
  Li  Li2  1  0.04  0.22  0.16  1.0
  Li  Li3  1  0.86  0.22  0.01  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.36  0.0  0.58  1.0

data_Li2CoBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.44
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoBi
_chemical_formula_sum   'Li2 Co1 Bi1'
_cell_volume   72.94
_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
  Li  Li0  1  0.04  0.22  0.16  1.0
  Li  Li1  1  0.86  0.22  0.01  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.36  0.0  0.58  1.0

Li Li Co Bi
Li Li Co Bi 0 1 - o o 0 2 o o o 0 3 o o o 1 2 + o o 1 3 o o - 2 3 o o o 2 3 o o - 2 3 - o - 