data_NaCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.66
_cell_angle_alpha   98.94
_cell_angle_beta   98.94
_cell_angle_gamma   30.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Ag
_chemical_formula_sum   'Na1 Co2 Ag1'
_cell_volume   60.35
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.83  0.0  0.4  1.0
  Co  Co2  1  0.29  0.0  0.2  1.0
  Ag  Ag0  1  0.56  0.0  0.3  1.0

data_NaCo2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.66
_cell_length_c   5.11
_cell_angle_alpha   98.94
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Ag
_chemical_formula_sum   'Na1 Co2 Ag1'
_cell_volume   60.35
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.2  0.29  1.0
  Co  Co2  1  0.0  0.4  0.83  1.0
  Ag  Ag3  1  0.0  0.3  0.56  1.0

Na Co Co Ag
Na Co Co Ag 0 2 o o o 1 3 o o o 2 3 o o o 