data_[Zr8Sb12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  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 [9.9630]
_cell_length_b [5.7863]
_cell_length_c [13.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Sb3Mo4C3]
_chemical_formula_sum '[Zr8 Sb12 Mo16 C12]'
_cell_volume [763.9568]
_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  0.0522  0.4165  0.9031  1
  Sb  Sb1  8  0.1821  0.3968  0.2470  1
  Sb  Sb2  4  0.0000  0.0522  0.7500  1
  Mo  Mo3  8  0.1037  0.0905  0.0782  1
  Mo  Mo4  8  0.2293  0.0776  0.4237  1
  C  C5  8  0.0865  0.2437  0.5006  1
  C  C6  4  0.2500  0.2500  0.0000  1
]