data_[Ti4Mo4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7685]
_cell_length_b [6.0556]
_cell_length_c [5.2819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TiMoC]
_chemical_formula_sum '[Ti4 Mo4 C4]'
_cell_volume [152.5220]
_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
[
  Ti  Ti0  4  0.2427  0.6264  0.4126  1
  Mo  Mo1  4  0.2552  0.1226  0.4172  1
  C  C2  4  0.4988  0.6260  0.7484  1
]