data_LiSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.77
_cell_angle_alpha   104.46
_cell_angle_beta   104.46
_cell_angle_gamma   48.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnAs2
_chemical_formula_sum   'Li1 Sn1 As2'
_cell_volume   86.6
_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
  Sn  Sn3  1  0.38  0.0  0.77  1.0
  As  As0  1  0.76  0.0  0.58  1.0
  As  As1  1  1.0  0.0  0.97  1.0

data_LiSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.57
_cell_length_c   5.77
_cell_angle_alpha   104.46
_cell_angle_beta   90.0
_cell_angle_gamma   114.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnAs2
_chemical_formula_sum   'Li1 Sn1 As2'
_cell_volume   86.6
_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
  Sn  Sn1  1  0.0  0.62  0.23  1.0
  As  As2  1  0.0  0.0  0.03  1.0
  As  As3  1  0.0  0.24  0.42  1.0

Li Sn As As