data_[Ce4Zr8Mo4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3672]
_cell_length_b [11.7755]
_cell_length_c [11.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeZr2MoC4]
_chemical_formula_sum '[Ce4 Zr8 Mo4 C16]'
_cell_volume [465.9860]
_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
[
  Ce  Ce0  4  0.0000  0.1056  0.7500  1
  Zr  Zr1  8  0.0000  0.3700  0.5379  1
  Mo  Mo2  4  0.0000  0.1592  0.2500  1
  C  C3  8  0.0000  0.2607  0.1182  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4411  0.7500  1
]