data_[Ca16In8C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.0245]
_cell_length_b [5.0245]
_cell_length_c [30.0324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ca4In2C]
_chemical_formula_sum '[Ca16 In8 C4]'
_cell_volume [758.1912]
_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  8  0.0000  0.0000  0.0816  1
  Ca  Ca1  8  0.0000  0.0000  0.2490  1
  In  In2  8  0.0000  0.0000  0.4092  1
  C  C3  4  0.0000  0.0000  0.0000  1
]