data_LiCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   139.44
_cell_angle_beta   139.44
_cell_angle_gamma   58.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSn
_chemical_formula_sum   'Li1 Co1 Sn1'
_cell_volume   44.23
_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  0.82  1.0
  Co  Co0  1  0.0  0.0  0.2  1.0
  Sn  Sn2  1  0.0  0.0  0.46  1.0

data_LiCoSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   119.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCoSn
_chemical_formula_sum   'Li2 Co2 Sn2'
_cell_volume   88.47
_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  0.18  1.0
  Co  Co1  2  0.0  0.0  0.8  1.0
  Sn  Sn2  2  0.0  0.0  0.54  1.0

Li Co Sn
Li Co Sn 0 2 o o o 0 1 o o + 1 2 o o o 