data_[Zr8V16Sn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6573]
_cell_length_b [5.5909]
_cell_length_c [13.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2V4(SnC)3]
_chemical_formula_sum '[Zr8 V16 Sn12 C12]'
_cell_volume [724.9673]
_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  0.0498  0.5813  0.9058  1
  V  V1  8  0.1083  0.0858  0.5711  1
  V  V2  8  0.2268  0.0805  0.9288  1
  Sn  Sn3  8  0.1907  0.3926  0.7511  1
  Sn  Sn4  4  0.0000  0.0375  0.2500  1
  C  C5  8  0.0864  0.2407  0.9998  1
  C  C6  4  0.2500  0.2500  0.5000  1
]