data_NaCaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.91
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   96.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaAg2
_chemical_formula_sum   'Na1 Ca1 Ag2'
_cell_volume   101.17
_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  Na3  1  0.6  0.0  0.61  1.0
  Ca  Ca2  1  0.35  0.46  0.27  1.0
  Ag  Ag0  1  0.6  0.46  0.25  1.0
  Ag  Ag1  1  0.21  0.0  0.55  1.0

data_NaCaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.91
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   96.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaAg2
_chemical_formula_sum   'Na1 Ca1 Ag2'
_cell_volume   101.17
_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  0.6  0.0  0.61  1.0
  Ca  Ca1  1  0.35  0.46  0.27  1.0
  Ag  Ag2  1  0.21  0.0  0.55  1.0
  Ag  Ag3  1  0.6  0.46  0.25  1.0

Na Ca Ag Ag