data_[Zr16Ga4C8]
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 [Cmcm]
_cell_length_a [3.4380]
_cell_length_b [11.3986]
_cell_length_c [11.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr4GaC2]
_chemical_formula_sum '[Zr16 Ga4 C8]'
_cell_volume [466.4427]
_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  0.2378  0.6065  1.0
  Zr  Zr1  4  0.0000  0.0762  0.2500  1.0
  Zr  Zr2  4  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.3904  0.2500  1.0
  C  C4  8  0.0000  0.1360  0.0603  1.0
]