data_[Ca4Ga12Ag4]
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 [Cmcm]
_cell_length_a [5.9352]
_cell_length_b [11.8422]
_cell_length_c [5.9114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaGa3Ag]
_chemical_formula_sum '[Ca4 Ga12 Ag4]'
_cell_volume [415.4901]
_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  0.0000  0.2489  0.7500  1.0
  Ga  Ga1  8  0.2479  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.1403  0.2500  1.0
  Ag  Ag3  4  0.0000  0.3578  0.2500  1.0
]