data_[Ca4Ga8Ag12]
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 [16.4122]
_cell_length_b [4.4134]
_cell_length_c [7.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaGa2Ag3]
_chemical_formula_sum '[Ca4 Ga8 Ag12]'
_cell_volume [502.3142]
_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  0.1461  0.0000  0.0704  1.0
  Ga  Ga1  4  0.0163  0.5000  0.1697  1.0
  Ga  Ga2  4  0.2004  0.0000  0.7092  1.0
  Ag  Ag3  4  0.0385  0.0000  0.3687  1.0
  Ag  Ag4  4  0.1019  0.5000  0.6935  1.0
  Ag  Ag5  4  0.1858  0.5000  0.4470  1.0
]