data_[Ca4Ga12Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4909]
_cell_length_b [4.5405]
_cell_length_c [6.8107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaGa3Ag2]
_chemical_formula_sum '[Ca4 Ga12 Ag8]'
_cell_volume [486.6120]
_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  0.1134  0.0000  0.1710  1.0
  Ga  Ga1  4  0.0695  0.0000  0.6576  1.0
  Ga  Ga2  4  0.1315  0.5000  0.5046  1.0
  Ga  Ga3  4  0.1999  0.5000  0.9230  1.0
  Ag  Ag4  4  0.0245  0.5000  0.8156  1.0
  Ag  Ag5  4  0.2363  0.0000  0.6548  1.0
]