data_Li2MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   19.49
_cell_angle_beta   19.49
_cell_angle_gamma   19.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnSb
_chemical_formula_sum   'Li2 Mn1 Sb1'
_cell_volume   81.68
_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  0.0  0.68  1.0
  Li  Li1  1  0.0  0.0  0.95  1.0
  Mn  Mn2  1  0.0  0.0  0.89  1.0
  Sb  Sb3  1  0.0  0.0  0.86  1.0

data_Li2MnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2MnSb
_chemical_formula_sum   'Li4 Mn2 Sb2'
_cell_volume   163.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.05  1.0
  Li  Li1  2  0.0  0.0  0.32  1.0
  Mn  Mn2  2  -0.0  0.0  0.11  1.0
  Sb  Sb3  2  0.0  0.0  0.14  1.0

Li Li Mn Sb
Li Li Mn Sb 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 