data_LiMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   5.31
_cell_angle_alpha   106.88
_cell_angle_beta   106.88
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgBi2
_chemical_formula_sum   'Li1 Mg1 Bi2'
_cell_volume   103.15
_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  0.95  0.0  0.05  1.0
  Mg  Mg3  1  0.39  0.0  0.75  1.0
  Bi  Bi0  1  0.83  0.0  0.55  1.0
  Bi  Bi1  1  0.86  0.0  0.24  1.0

data_LiMgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.31
_cell_length_c   6.07
_cell_angle_alpha   106.88
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgBi2
_chemical_formula_sum   'Li1 Mg1 Bi2'
_cell_volume   103.15
_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  0.05  0.95  1.0
  Mg  Mg1  1  0.0  0.75  0.39  1.0
  Bi  Bi2  1  0.0  0.24  0.86  1.0
  Bi  Bi3  1  0.0  0.55  0.83  1.0

Li Mg Bi Bi