data_[Ac12Si4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9484]
_cell_length_b [8.5115]
_cell_length_c [12.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac6Si2C]
_chemical_formula_sum '[Ac12 Si4 C2]'
_cell_volume [601.3455]
_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  0.1094  0.6599  0.9407  1
  Ac  Ac1  4  0.3055  0.2030  0.9441  1
  Ac  Ac2  4  0.3732  0.5351  0.7487  1
  Si  Si3  4  0.1939  0.6182  0.2554  1
  C  C4  2  0.5000  0.0000  0.5000  1
]