data_LiCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   38.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   81.51
_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  Li3  1  0.0  0.0  0.75  1.0
  Co  Co2  1  0.15  0.0  0.2  1.0
  Bi  Bi0  1  0.15  0.0  0.06  1.0
  Bi  Bi1  1  0.0  0.0  0.68  1.0

data_LiCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.3
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   109.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   81.51
_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  0.25  0.0  0.25  1.0
  Co  Co1  1  0.8  0.15  0.8  1.0
  Bi  Bi2  1  0.32  0.0  0.32  1.0
  Bi  Bi3  1  0.94  0.15  0.94  1.0

Li Co Bi Bi