data_[Mn8Tl12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  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 [9.4798]
_cell_length_b [5.5128]
_cell_length_c [14.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Tl3Mo4C3]
_chemical_formula_sum '[Mn8 Tl12 Mo16 C12]'
_cell_volume [718.4939]
_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
[
  Mn  Mn0  8  0.0599  0.4146  0.9236  1
  Tl  Tl1  8  0.1662  0.4197  0.2498  1
  Tl  Tl2  4  0.0000  0.0795  0.7500  1
  Mo  Mo3  8  0.1079  0.0855  0.0752  1
  Mo  Mo4  8  0.2266  0.0831  0.4248  1
  C  C5  8  0.0801  0.2600  0.5002  1
  C  C6  4  0.2500  0.2500  0.0000  1
]