data_[Ca2Cd2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4498]
_cell_length_b [5.1140]
_cell_length_c [7.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CaCdC]
_chemical_formula_sum '[Ca2 Cd2 C2]'
_cell_volume [126.4325]
_cell_formula_units_Z [2]
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  1  0.0000  0.0000  0.7437  1
  Ca  Ca1  1  0.0000  0.5000  0.3946  1
  Cd  Cd2  1  0.5000  0.0000  0.1242  1
  Cd  Cd3  1  0.5000  0.5000  0.9289  1
  C  C4  2  0.5000  0.1264  0.4641  1
]