data_AgAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs3
_chemical_formula_sum   'Ag2 As6'
_cell_volume   165.89
_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  0.84  0.37  0.37  1.0
  Ag  Ag1  1  0.84  0.63  0.11  1.0
  As  As2  1  0.84  0.72  0.11  1.0
  As  As3  1  0.84  0.28  0.37  1.0
  As  As4  1  0.16  0.87  0.11  1.0
  As  As5  1  0.52  0.13  0.37  1.0
  As  As6  1  0.52  0.87  0.11  1.0
  As  As7  1  0.16  0.13  0.37  1.0

data_AgAs3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.48
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   AgAs3
_chemical_formula_sum   'Ag2 As6'
_cell_volume   165.95
_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, y, -z'
  4  '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  2  0.13  0.5  0.37  1.0
  As  As1  4  0.13  0.18  0.13  1.0
  As  As2  2  0.13  0.5  0.28  1.0

Ag Ag As As As As As As
Ag Ag As As As As As As 0 3 o o o 0 5 o o o 0 7 + o o 1 2 o o o 1 4 + o o 1 6 o o o 2 4 + o o 2 6 o o o 3 5 o o o 3 7 + o o 4 7 o + o 4 6 o o o 5 7 o o o 5 6 o - o 