data_[Ca4In12Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4358]
_cell_length_b [4.5062]
_cell_length_c [12.0475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaIn3Ag]
_chemical_formula_sum '[Ca4 In12 Ag4]'
_cell_volume [512.2514]
_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  0.1892  0.2500  0.9987  1
  In  In1  4  0.0709  0.2500  0.5975  1
  In  In2  4  0.0977  0.7500  0.8020  1
  In  In3  4  0.1353  0.7500  0.2022  1
  Ag  Ag4  4  0.1180  0.2500  0.3652  1
]