data_NaAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   145.73
_cell_angle_beta   137.3
_cell_angle_gamma   55.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgSe2
_chemical_formula_sum   'Na1 Ag1 Se2'
_cell_volume   87.48
_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
  Na  Na1  1  0.0  0.0  0.09  1.0
  Ag  Ag0  1  0.81  0.0  0.89  1.0
  Se  Se2  1  0.81  0.0  0.47  1.0
  Se  Se3  1  0.0  0.0  0.8  1.0

data_NaAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.47
_cell_length_c   6.13
_cell_angle_alpha   111.35
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgSe2
_chemical_formula_sum   'Na1 Ag1 Se2'
_cell_volume   87.48
_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
  Na  Na0  1  0.91  0.91  0.91  1.0
  Ag  Ag1  1  0.92  0.11  0.92  1.0
  Se  Se2  1  0.2  0.2  0.2  1.0
  Se  Se3  1  0.33  0.53  0.33  1.0

Na Ag Se Se