data_LiCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.41
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   83.2
_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  0.0  1.0
  Co  Co2  1  0.63  0.0  0.64  1.0
  Bi  Bi0  1  0.48  0.7  0.03  1.0
  Bi  Bi1  1  0.12  0.7  0.26  1.0

data_LiCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.41
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   83.2
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.63  0.0  0.64  1.0
  Bi  Bi2  1  0.12  0.7  0.26  1.0
  Bi  Bi3  1  0.48  0.7  0.03  1.0

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