data_LiCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   126.57
_cell_angle_beta   126.57
_cell_angle_gamma   78.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuSb2
_chemical_formula_sum   'Li1 Cu1 Sb2'
_cell_volume   81.66
_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  Li1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.92  1.0
  Sb  Sb2  1  0.28  0.0  0.96  1.0
  Sb  Sb3  1  0.0  0.28  0.96  1.0

data_LiCuSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   129.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCuSb2
_chemical_formula_sum   'Li2 Cu2 Sb4'
_cell_volume   163.31
_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  0.0  1.0
  Cu  Cu1  2  0.08  0.0  0.08  1.0
  Sb  Sb2  4  0.18  0.14  0.32  1.0

Li Cu Sb Sb
Li Cu Sb Sb 0 1 o o - 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 