data_CuAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.13
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgSe2
_chemical_formula_sum   'Cu1 Ag1 Se2'
_cell_volume   81.78
_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
  Cu  Cu1  1  0.61  0.0  0.87  1.0
  Ag  Ag0  1  0.13  0.06  0.57  1.0
  Se  Se2  1  0.54  0.06  0.2  1.0
  Se  Se3  1  0.64  0.0  0.31  1.0

data_CuAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.13
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgSe2
_chemical_formula_sum   'Cu1 Ag1 Se2'
_cell_volume   81.78
_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
  Cu  Cu0  1  0.61  0.0  0.87  1.0
  Ag  Ag1  1  0.13  0.06  0.57  1.0
  Se  Se2  1  0.54  0.06  0.2  1.0
  Se  Se3  1  0.64  0.0  0.31  1.0

Cu Ag Se Se
Cu Ag Se Se 0 1 o o o 0 1 + o o 0 2 o o + 1 3 - o o 1 3 o o o 2 3 o o o 