data_CaZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.9
_cell_length_c   3.31
_cell_angle_alpha   74.29
_cell_angle_beta   73.26
_cell_angle_gamma   32.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnAg
_chemical_formula_sum   'Ca1 Zn1 Ag1'
_cell_volume   59.32
_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
  Ca  Ca1  1  0.3  0.38  0.25  1.0
  Zn  Zn2  1  0.3  0.38  0.64  1.0
  Ag  Ag0  1  0.3  0.38  0.85  1.0

data_CaZnAg
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.31
_cell_length_b   10.87
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CaZnAg
_chemical_formula_sum   'Ca2 Zn2 Ag2'
_cell_volume   118.7
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ca  Ca0  2  0.0  0.0  0.38  1.0
  Zn  Zn1  2  0.0  0.0  0.99  1.0
  Ag  Ag2  2  0.0  0.0  0.78  1.0

Ca Zn Ag
Ca Zn Ag 0 2 o o - 0 1 o o o 1 2 o o o 