data_Li2ScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.7
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScAs
_chemical_formula_sum   'Li2 Sc1 As1'
_cell_volume   76.12
_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  0.26  1.0
  Li  Li2  1  0.64  0.85  0.33  1.0
  Sc  Sc3  1  0.0  0.0  0.41  1.0
  As  As0  1  0.64  0.85  0.74  1.0

data_Li2ScAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.7
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScAs
_chemical_formula_sum   'Li2 Sc1 As1'
_cell_volume   76.12
_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  0.26  1.0
  Li  Li1  1  0.64  0.85  0.33  1.0
  Sc  Sc2  1  0.0  0.0  0.41  1.0
  As  As3  1  0.64  0.85  0.74  1.0

Li Li Sc As
Li Li Sc As 0 2 o o o 0 1 - - o 1 2 + + o 1 3 o o o 2 3 o - o 2 3 - - o 