data_[Zr20Ga4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1947]
_cell_length_b [6.0320]
_cell_length_c [9.6450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5GaC]
_chemical_formula_sum '[Zr20 Ga4 C4]'
_cell_volume [558.2355]
_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  0.1178  0.3179  0.5355  1
  Zr  Zr1  8  0.2004  0.1808  0.1313  1
  Zr  Zr2  4  0.0000  0.0437  0.7500  1
  Ga  Ga3  4  0.0000  0.4710  0.2500  1
  C  C4  4  0.0000  0.0000  0.0000  1
]