data_Al2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   152.24
_cell_angle_beta   130.66
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgAs
_chemical_formula_sum   'Al2 Ag1 As1'
_cell_volume   72.53
_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  Al1  1  0.0  0.0  0.08  1.0
  Al  Al2  1  0.42  0.0  0.61  1.0
  Ag  Ag0  1  0.0  0.47  0.69  1.0
  As  As3  1  0.0  0.0  0.98  1.0

data_Al2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.94
_cell_length_c   5.91
_cell_angle_alpha   114.67
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgAs
_chemical_formula_sum   'Al2 Ag1 As1'
_cell_volume   72.53
_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  0.08  0.08  1.0
  Al  Al1  1  0.0  0.61  0.19  1.0
  Ag  Ag2  1  0.53  0.22  0.22  1.0
  As  As3  1  0.0  0.98  0.98  1.0

Al Al Ag As