data_AgAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.5
_cell_length_b   4.01
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsSe
_chemical_formula_sum   'Ag4 As4 Se4'
_cell_volume   312.45
_cell_formula_units_Z   4
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  0.53  0.0  0.73  1.0
  Ag  Ag1  1  0.28  0.0  0.6  1.0
  Ag  Ag2  1  0.23  0.01  0.62  1.0
  Ag  Ag3  1  0.97  0.01  0.49  1.0
  As  As4  1  0.11  0.0  0.42  1.0
  As  As5  1  0.36  0.0  0.91  1.0
  As  As6  1  0.14  0.01  0.31  1.0
  As  As7  1  0.39  0.01  0.8  1.0
  Se  Se8  1  0.01  0.0  0.99  1.0
  Se  Se9  1  0.26  0.0  0.35  1.0
  Se  Se10  1  0.24  0.01  0.88  1.0
  Se  Se11  1  0.5  0.01  0.23  1.0

data_AgAsSe
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   6.22
_cell_length_b   4.01
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   AgAsSe
_chemical_formula_sum   'Ag4 As4 Se4'
_cell_volume   312.45
_cell_formula_units_Z   4
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  0.38  0.0  0.72  1.0
  Ag  Ag1  2  0.49  0.0  0.03  1.0
  As  As2  2  0.2  0.0  0.89  1.0
  As  As3  2  0.31  0.0  0.86  1.0
  Se  Se4  2  0.12  0.0  0.24  1.0
  Se  Se5  2  0.23  0.0  0.01  1.0

Ag Ag Ag Ag As As As As Se Se Se Se