data_LiSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.48
_cell_angle_alpha   111.68
_cell_angle_beta   111.68
_cell_angle_gamma   38.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnAs2
_chemical_formula_sum   'Li1 Sn1 As2'
_cell_volume   88.02
_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  0.96  0.0  0.65  1.0
  Sn  Sn3  1  0.26  0.0  0.49  1.0
  As  As0  1  0.41  0.0  0.55  1.0
  As  As1  1  0.83  0.0  0.61  1.0

data_LiSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.48
_cell_length_c   5.89
_cell_angle_alpha   111.68
_cell_angle_beta   109.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnAs2
_chemical_formula_sum   'Li1 Sn1 As2'
_cell_volume   88.02
_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  0.65  0.96  1.0
  Sn  Sn1  1  0.0  0.49  0.26  1.0
  As  As2  1  0.0  0.55  0.41  1.0
  As  As3  1  0.0  0.61  0.83  1.0

Li Sn As As
Li Sn As As 0 3 o o o 1 2 o o o 