data_[Ca4In16]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9813]
_cell_length_b [6.6924]
_cell_length_c [15.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaIn4]
_chemical_formula_sum '[Ca4 In16]'
_cell_volume [532.4459]
_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  0.2500  0.8964  1
  In  In1  8  0.0000  0.0030  0.3030  1
  In  In2  4  0.0000  0.0000  0.5000  1
  In  In3  4  0.0000  0.2500  0.1059  1
]