data_NaTaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.5
_cell_length_b   10.5
_cell_length_c   10.5
_cell_angle_alpha   16.09
_cell_angle_beta   16.09
_cell_angle_gamma   16.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaAg2
_chemical_formula_sum   'Na1 Ta1 Ag2'
_cell_volume   77.4
_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  Na2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.54  1.0
  Ag  Ag0  1  0.0  0.0  0.65  1.0
  Ag  Ag1  1  0.0  0.0  0.42  1.0

data_NaTaAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   2.94
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTaAg2
_chemical_formula_sum   'Na2 Ta2 Ag4'
_cell_volume   154.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.46  1.0
  Ag  Ag2  2  0.0  0.0  0.35  1.0
  Ag  Ag3  2  0.0  0.0  0.58  1.0

Na Ta Ag Ag
Na Ta Ag Ag 0 0 o + - 0 0 + - o 0 0 + o - 1 3 o o o 1 2 o o o 