data_LiCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.19
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   96.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSn2
_chemical_formula_sum   'Li1 Co1 Sn2'
_cell_volume   75.06
_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
  Co  Co0  1  0.59  0.0  0.72  1.0
  Sn  Sn2  1  0.25  0.59  0.13  1.0
  Sn  Sn3  1  0.1  0.59  0.31  1.0

data_LiCoSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.19
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   96.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSn2
_chemical_formula_sum   'Li1 Co1 Sn2'
_cell_volume   75.06
_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
  Co  Co1  1  0.59  0.0  0.72  1.0
  Sn  Sn2  1  0.1  0.59  0.31  1.0
  Sn  Sn3  1  0.25  0.59  0.13  1.0

Li Co Sn Sn
Li Co Sn Sn 0 2 o - o 0 1 - o - 2 3 o o o 