data_AgAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.69
_cell_angle_alpha   105.37
_cell_angle_beta   105.37
_cell_angle_gamma   46.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs2Au
_chemical_formula_sum   'Ag1 As2 Au1'
_cell_volume   78.58
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.69  0.0  0.11  1.0
  As  As2  1  0.91  0.0  0.33  1.0
  Au  Au3  1  0.3  0.0  0.72  1.0

data_AgAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.48
_cell_length_c   5.69
_cell_angle_alpha   105.37
_cell_angle_beta   90.0
_cell_angle_gamma   113.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs2Au
_chemical_formula_sum   'Ag1 As2 Au1'
_cell_volume   78.58
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.09  0.67  1.0
  As  As2  1  0.0  0.31  0.89  1.0
  Au  Au3  1  0.0  0.7  0.28  1.0

Ag As As Au
Ag As As Au 0 1 - o o 0 3 o o - 1 2 o o o 1 3 o o - 2 3 + o o 