data_LiMgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.3
_cell_angle_alpha   93.46
_cell_angle_beta   93.46
_cell_angle_gamma   103.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSb2
_chemical_formula_sum   'Li1 Mg1 Sb2'
_cell_volume   93.28
_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
  Mg  Mg1  1  0.34  0.0  0.0  1.0
  Sb  Sb2  1  0.51  0.12  0.64  1.0
  Sb  Sb3  1  0.51  0.88  0.64  1.0

data_LiMgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   103.56
_cell_angle_beta   93.46
_cell_angle_gamma   93.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSb2
_chemical_formula_sum   'Li1 Mg1 Sb2'
_cell_volume   93.28
_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
  Mg  Mg1  1  -0.0  0.34  0.0  1.0
  Sb  Sb2  1  0.64  0.51  0.12  1.0
  Sb  Sb3  1  0.64  0.51  0.88  1.0

Li Mg Sb Sb