data_[Ac4Mo4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [12.6659]
_cell_length_b [3.6012]
_cell_length_c [6.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Mo2C3]
_chemical_formula_sum '[Ac4 Mo4 C6]'
_cell_volume [249.3958]
_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
[
  Ac  Ac0  4  0.1011  0.5000  0.8081  1
  Mo  Mo1  4  0.1652  0.0000  0.3183  1
  C  C2  4  0.2472  0.5000  0.2898  1
  C  C3  2  0.0000  0.0000  0.0000  1
]