data_Ca2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnAg
_chemical_formula_sum   'Ca2 Zn1 Ag1'
_cell_volume   102.33
_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  0.84  0.11  0.84  1.0
  Ca  Ca2  1  0.84  0.89  0.84  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.68  0.0  0.0  1.0

data_Ca2ZnAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.68
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ca2ZnAg
_chemical_formula_sum   'Ca2 Zn1 Ag1'
_cell_volume   102.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ca0  2  0.84  0.11  0.84  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  -0.0  0.0  0.68  1.0

Ca Ca Zn Ag