data_AgPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.75
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   95.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPSe2
_chemical_formula_sum   'Ag1 P1 Se2'
_cell_volume   81.49
_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  0.61  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.07  0.88  0.82  1.0
  Se  Se3  1  0.02  0.88  0.78  1.0

data_AgPSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.75
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   95.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPSe2
_chemical_formula_sum   'Ag1 P1 Se2'
_cell_volume   81.49
_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  0.61  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.02  0.88  0.78  1.0
  Se  Se3  1  0.07  0.88  0.82  1.0

Ag P Se Se