data_AlBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.19
_cell_angle_alpha   105.75
_cell_angle_beta   105.75
_cell_angle_gamma   56.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2As
_chemical_formula_sum   'Al1 Bi2 As1'
_cell_volume   107.14
_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  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.19  0.0  0.67  1.0
  Bi  Bi3  1  0.24  0.0  0.17  1.0
  As  As1  1  0.71  0.0  0.42  1.0

data_AlBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.34
_cell_length_c   7.19
_cell_angle_alpha   105.75
_cell_angle_beta   90.0
_cell_angle_gamma   118.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2As
_chemical_formula_sum   'Al1 Bi2 As1'
_cell_volume   107.14
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.76  0.83  1.0
  Bi  Bi2  1  0.0  0.81  0.33  1.0
  As  As3  1  0.0  0.29  0.58  1.0

Al Bi Bi As