data_[Zr16Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3435]
_cell_length_b [11.1174]
_cell_length_c [11.9197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr4CoC2]
_chemical_formula_sum '[Zr16 Co4 C8]'
_cell_volume [443.0696]
_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
[
  Zr  Zr0  8  0.0000  0.2290  0.6108  1
  Zr  Zr1  4  0.0000  0.0594  0.2500  1
  Zr  Zr2  4  0.0000  0.5000  0.0000  1
  Co  Co3  4  0.0000  0.3874  0.2500  1
  C  C4  8  0.0000  0.1350  0.0615  1
]