data_[Ca4Zn4Ga2Ag10]
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
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.2965]
_cell_length_b [10.2965]
_cell_length_c [3.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Zn2GaAg5]
_chemical_formula_sum '[Ca4 Zn4 Ga2 Ag10]'
_cell_volume [413.4163]
_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  4  0.1769  0.6769  0.0000  1.0
  Zn  Zn1  4  0.1222  0.3778  0.0000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  8  0.0580  0.1989  0.5000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.5000  1.0
]