data_[Ac4Fe2Si2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5697]
_cell_length_b [4.1604]
_cell_length_c [9.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac2FeSiC]
_chemical_formula_sum '[Ac4 Fe2 Si2 C2]'
_cell_volume [234.3702]
_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  2  0.2121  0.7500  0.3967  1
  Ac  Ac1  2  0.2324  0.7500  0.9649  1
  Fe  Fe2  2  0.4928  0.2500  0.2510  1
  Si  Si3  2  0.3398  0.2500  0.7037  1
  C  C4  2  0.2131  0.2500  0.1822  1
]