data_Ag4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39
_cell_length_b   10.39
_cell_length_c   10.39
_cell_angle_alpha   159.87
_cell_angle_beta   159.87
_cell_angle_gamma   28.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag4As3
_chemical_formula_sum   'Ag4 As3'
_cell_volume   132.83
_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  0.82  1.0
  Ag  Ag1  1  0.0  0.0  0.32  1.0
  Ag  Ag2  1  0.0  0.0  0.63  1.0
  Ag  Ag3  1  0.0  0.0  0.51  1.0
  As  As4  1  0.0  0.0  0.0  1.0
  As  As5  1  0.0  0.0  0.61  1.0
  As  As6  1  0.0  0.0  0.53  1.0

data_Ag4As3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag4As3
_chemical_formula_sum   'Ag8 As6'
_cell_volume   265.66
_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  0.18  1.0
  Ag  Ag1  2  0.0  0.0  0.37  1.0
  Ag  Ag2  2  0.0  0.0  0.49  1.0
  Ag  Ag3  2  0.0  0.0  0.68  1.0
  As  As4  2  0.0  0.0  0.0  1.0
  As  As5  2  0.0  0.0  0.39  1.0
  As  As6  2  0.0  0.0  0.47  1.0

Ag Ag Ag Ag As As As
Ag Ag Ag Ag As As As 0 5 o o o 0 2 o o o 0 4 o o + 1 6 o o o 1 3 o o o 2 5 o o o 3 6 o o o 