data_[Ce4Mn4Mo8C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2284]
_cell_length_b [10.9305]
_cell_length_c [10.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeMn(MoC2)2]
_chemical_formula_sum '[Ce4 Mn4 Mo8 C16]'
_cell_volume [373.8769]
_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  0.0971  0.7500  1
  Mn  Mn1  4  0.0000  0.1654  0.2500  1
  Mo  Mo2  8  0.0000  0.3742  0.5413  1
  C  C3  8  0.0000  0.2674  0.1146  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4230  0.7500  1
]