data_LiBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.67
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2As
_chemical_formula_sum   'Li1 Bi2 As1'
_cell_volume   102.78
_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  Li3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.84  0.34  0.13  1.0
  Bi  Bi2  1  0.83  0.34  0.57  1.0
  As  As0  1  0.84  0.0  0.35  1.0

data_LiBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.67
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2As
_chemical_formula_sum   'Li1 Bi2 As1'
_cell_volume   102.78
_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
  Bi  Bi1  1  0.83  0.34  0.57  1.0
  Bi  Bi2  1  0.84  0.34  0.13  1.0
  As  As3  1  0.84  0.0  0.35  1.0

Li Bi Bi As