data_LiMnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   135.3
_cell_angle_beta   135.3
_cell_angle_gamma   65.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnSb
_chemical_formula_sum   'Li1 Mn1 Sb1'
_cell_volume   55.58
_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  0.02  1.0
  Mn  Mn1  1  0.0  0.0  0.49  1.0
  Sb  Sb2  1  0.0  0.0  0.67  1.0

data_LiMnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   122.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMnSb
_chemical_formula_sum   'Li2 Mn2 Sb2'
_cell_volume   111.16
_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  0.02  1.0
  Mn  Mn1  2  0.0  0.0  0.49  1.0
  Sb  Sb2  2  0.0  0.0  0.67  1.0

Li Mn Sb
Li Mn Sb 0 2 o o - 1 2 o o o 