data_NaAuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   147.25
_cell_angle_beta   128.35
_cell_angle_gamma   62.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAuSe
_chemical_formula_sum   'Na1 Au1 Se1'
_cell_volume   62.41
_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  0.05  1.0
  Au  Au0  1  0.0  0.0  0.11  1.0
  Se  Se2  1  0.0  0.0  0.89  1.0

data_NaAuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.61
_cell_length_c   5.3
_cell_angle_alpha   115.82
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAuSe
_chemical_formula_sum   'Na1 Au1 Se1'
_cell_volume   62.41
_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  0.0  0.05  0.05  1.0
  Au  Au1  1  0.0  0.11  0.11  1.0
  Se  Se2  1  0.0  0.89  0.89  1.0

Na Au Se