data_LiCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.82
_cell_angle_alpha   100.77
_cell_angle_beta   100.77
_cell_angle_gamma   116.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Sn
_chemical_formula_sum   'Li1 Co2 Sn1'
_cell_volume   56.53
_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  Li2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.79  0.93  0.32  1.0
  Co  Co1  1  0.79  0.07  0.32  1.0
  Sn  Sn3  1  0.58  0.0  0.0  1.0

data_LiCo2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   116.19
_cell_angle_beta   100.77
_cell_angle_gamma   100.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Sn
_chemical_formula_sum   'Li1 Co2 Sn1'
_cell_volume   56.53
_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  0.32  0.79  0.07  1.0
  Co  Co2  1  0.32  0.79  0.93  1.0
  Sn  Sn3  1  -0.0  0.58  0.0  1.0

Li Co Co Sn