data_LiMgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.31
_cell_angle_alpha   98.96
_cell_angle_beta   98.96
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgPb2
_chemical_formula_sum   'Li1 Mg1 Pb2'
_cell_volume   101.68
_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  0.09  0.0  0.71  1.0
  Mg  Mg1  1  0.11  0.0  0.23  1.0
  Pb  Pb2  1  0.0  0.0  0.14  1.0
  Pb  Pb3  1  0.11  0.0  0.78  1.0

data_LiMgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.31
_cell_length_c   5.81
_cell_angle_alpha   98.96
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgPb2
_chemical_formula_sum   'Li1 Mg1 Pb2'
_cell_volume   101.68
_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  0.71  0.09  1.0
  Mg  Mg1  1  0.0  0.23  0.11  1.0
  Pb  Pb2  1  0.0  0.14  0.0  1.0
  Pb  Pb3  1  0.0  0.78  0.11  1.0

Li Mg Pb Pb