data_[Ca4Gd4In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Gd  1.2000  1.8000  1.0750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6047]
_cell_length_b [8.6047]
_cell_length_c [8.6047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CaGdIn4]
_chemical_formula_sum '[Ca4 Gd4 In16]'
_cell_volume [637.1000]
_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  0.2500  0.2500  0.2500  1
  Gd  Gd1  4  0.0000  0.0000  0.0000  1
  In  In2  16  0.1252  0.3748  0.8748  1
]