data_[Zr16Ta8Sn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  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 [9.9321]
_cell_length_b [5.7345]
_cell_length_c [14.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Ta2(SnC)3]
_chemical_formula_sum '[Zr16 Ta8 Sn12 C12]'
_cell_volume [828.4246]
_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  0.1132  0.0784  0.5887  1
  Zr  Zr1  8  0.2178  0.0858  0.9113  1
  Ta  Ta2  8  0.0597  0.4138  0.4203  1
  Sn  Sn3  8  0.1577  0.4253  0.7488  1
  Sn  Sn4  4  0.0000  0.1023  0.2500  1
  C  C5  8  0.0800  0.2597  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]