data_[Ca4Zn4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0469]
_cell_length_b [5.8737]
_cell_length_c [8.4729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaZnAg]
_chemical_formula_sum '[Ca4 Zn4 Ag4]'
_cell_volume [279.2012]
_cell_formula_units_Z [4]
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  Ca0  4  0.1976  0.6280  0.3729  1.0
  Zn  Zn1  4  0.3974  0.1029  0.2820  1.0
  Ag  Ag2  4  0.2087  0.1254  0.5208  1.0
]