data_AgAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   143.19
_cell_angle_beta   141.86
_cell_angle_gamma   54.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsSe2
_chemical_formula_sum   'Ag1 As1 Se2'
_cell_volume   92.64
_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  0.63  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.06  0.77  1.0
  Se  Se3  1  0.99  0.0  0.86  1.0

data_AgAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.13
_cell_length_c   6.32
_cell_angle_alpha   109.07
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAsSe2
_chemical_formula_sum   'Ag1 As1 Se2'
_cell_volume   92.64
_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  0.63  0.63  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.86  0.87  1.0
  Se  Se3  1  0.94  0.7  0.7  1.0

Ag As Se Se