data_Li5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5As
_chemical_formula_sum   'Li5 As1'
_cell_volume   98.53
_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  Li1  1  0.56  0.0  0.24  1.0
  Li  Li2  1  0.74  0.28  0.24  1.0
  Li  Li3  1  0.22  0.09  0.24  1.0
  Li  Li4  1  0.52  0.46  0.0  1.0
  Li  Li5  1  0.0  0.91  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Li5As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5As
_chemical_formula_sum   'Li5 As1'
_cell_volume   98.53
_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  0.91  1.0
  Li  Li1  1  0.0  0.52  0.46  1.0
  Li  Li2  1  0.24  0.22  0.09  1.0
  Li  Li3  1  0.24  0.56  0.0  1.0
  Li  Li4  1  0.24  0.74  0.28  1.0
  As  As5  1  0.0  0.0  0.0  1.0

Li Li Li Li Li As