data_[Ca4Si4Ir4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8716]
_cell_length_b [4.0916]
_cell_length_c [7.1053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Si2Ir2C]
_chemical_formula_sum '[Ca4 Si4 Ir4 C2]'
_cell_volume [245.1519]
_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  4  0.0686  0.5000  0.8382  1.0
  Si  Si1  4  0.1467  0.0000  0.5944  1.0
  Ir  Ir2  4  0.2019  0.0000  0.3098  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]