data_AlGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   143.68
_cell_angle_beta   130.83
_cell_angle_gamma   62.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeAs2
_chemical_formula_sum   'Al1 Ge1 As2'
_cell_volume   74.47
_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  0.16  1.0
  Ge  Ge3  1  0.72  0.0  0.68  1.0
  As  As1  1  0.72  0.0  0.02  1.0
  As  As2  1  0.0  0.0  0.28  1.0

data_AlGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.59
_cell_length_c   5.52
_cell_angle_alpha   114.58
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeAs2
_chemical_formula_sum   'Al1 Ge1 As2'
_cell_volume   74.47
_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  0.84  0.84  0.84  1.0
  Ge  Ge1  1  0.04  0.32  0.04  1.0
  As  As2  1  0.7  0.98  0.7  1.0
  As  As3  1  0.72  0.72  0.72  1.0

Al Ge As As