data_[Zr8Si12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3657]
_cell_length_b [5.4189]
_cell_length_c [13.3398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Si3Mo4C3]
_chemical_formula_sum '[Zr8 Si12 Mo16 C12]'
_cell_volume [657.8100]
_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  0.0453  0.4164  0.3859  1
  Si  Si1  8  0.2152  0.3714  0.7491  1
  Si  Si2  4  0.0000  0.0183  0.7500  1
  Mo  Mo3  8  0.1113  0.0877  0.5845  1
  Mo  Mo4  8  0.2243  0.0831  0.9153  1
  C  C5  8  0.0820  0.2537  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]