data_AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   132.97
_cell_angle_beta   132.97
_cell_angle_gamma   68.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs
_chemical_formula_sum   'Ag2 As2'
_cell_volume   75.84
_cell_formula_units_Z   2
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  0.09  0.0  0.17  1.0
  Ag  Ag1  1  0.0  0.0  0.33  1.0
  As  As2  1  0.0  0.09  0.17  1.0
  As  As3  1  0.0  0.0  0.0  1.0

data_AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.24
_cell_angle_alpha   113.51
_cell_angle_beta   113.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs
_chemical_formula_sum   'Ag2 As2'
_cell_volume   75.84
_cell_formula_units_Z   2
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  0.67  0.0  0.67  1.0
  Ag  Ag1  1  0.83  0.0  0.93  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.93  0.09  0.93  1.0

Ag Ag As As
Ag Ag As As 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 