data_[Zr4Si4Mo4C2]
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/m]
_cell_length_a [11.2432]
_cell_length_b [3.5234]
_cell_length_c [6.8928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Si2Mo2C]
_chemical_formula_sum '[Zr4 Si4 Mo4 C2]'
_cell_volume [224.3093]
_cell_formula_units_Z [2]
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  4  0.0621  0.5000  0.2873  1
  Si  Si1  4  0.1288  0.0000  0.6484  1
  Mo  Mo2  4  0.2038  0.0000  0.0940  1
  C  C3  2  0.0000  0.0000  0.0000  1
]