data_LiBiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   150.82
_cell_angle_beta   142.63
_cell_angle_gamma   48.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiAs
_chemical_formula_sum   'Li1 Bi1 As1'
_cell_volume   70.71
_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  0.18  1.0
  Bi  Bi1  1  0.0  0.0  0.85  1.0
  As  As0  1  0.0  0.0  0.66  1.0

data_LiBiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.98
_cell_length_c   6.21
_cell_angle_alpha   108.68
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiAs
_chemical_formula_sum   'Li1 Bi1 As1'
_cell_volume   70.71
_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  0.18  0.18  1.0
  Bi  Bi1  1  0.0  0.85  0.85  1.0
  As  As2  1  0.0  0.66  0.66  1.0

Li Bi As