data_[Ca4Zn2Ag2]
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 [Cm]
_cell_length_a [11.4844]
_cell_length_b [3.5048]
_cell_length_c [5.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2ZnAg]
_chemical_formula_sum '[Ca4 Zn2 Ag2]'
_cell_volume [205.9834]
_cell_formula_units_Z [2]
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  2  0.2747  0.5000  0.3085  1.0
  Ca  Ca1  2  0.4772  0.5000  0.9464  1.0
  Zn  Zn2  2  0.0296  0.5000  0.4834  1.0
  Ag  Ag3  2  0.2185  0.0000  0.7616  1.0
]