data_AlBiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.2
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiAs2
_chemical_formula_sum   'Al1 Bi1 As2'
_cell_volume   110.97
_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
  Al  Al0  1  0.57  0.0  0.02  1.0
  Bi  Bi3  1  0.47  0.1  0.99  1.0
  As  As1  1  0.17  0.1  0.04  1.0
  As  As2  1  0.63  0.0  0.46  1.0

data_AlBiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.2
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiAs2
_chemical_formula_sum   'Al1 Bi1 As2'
_cell_volume   110.97
_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
  Al  Al0  1  0.57  0.0  0.02  1.0
  Bi  Bi1  1  0.47  0.1  0.99  1.0
  As  As2  1  0.17  0.1  0.04  1.0
  As  As3  1  0.63  0.0  0.46  1.0

Al Bi As As