data_Ag2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   22.06
_cell_angle_beta   22.06
_cell_angle_gamma   22.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2As3
_chemical_formula_sum   'Ag2 As3'
_cell_volume   102.1
_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  0.5  1.0
  Ag  Ag1  1  0.0  0.0  0.94  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.33  1.0
  As  As4  1  0.0  0.0  0.12  1.0

data_Ag2As3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   3.59
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2As3
_chemical_formula_sum   'Ag4 As6'
_cell_volume   204.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.5  1.0
  Ag  Ag1  2  -0.0  0.0  0.06  1.0
  As  As2  2  -0.0  0.0  0.88  1.0
  As  As3  2  0.0  0.0  0.0  1.0
  As  As4  2  0.0  0.0  0.67  1.0

Ag Ag As As As