data_NaAgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgSe
_chemical_formula_sum   'Na1 Ag1 Se1'
_cell_volume   73.94
_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  0.44  1.0
  Ag  Ag0  1  0.24  0.29  0.59  1.0
  Se  Se2  1  0.0  0.59  0.46  1.0

data_NaAgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAgSe
_chemical_formula_sum   'Na1 Ag1 Se1'
_cell_volume   73.94
_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  0.44  0.0  0.0  1.0
  Ag  Ag1  1  0.59  0.24  0.29  1.0
  Se  Se2  1  0.46  0.0  0.59  1.0

Na Ag Se
Na Ag Se 0 1 o o o 0 2 o - o 1 2 o o o 