data_[Ac12Sb10As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2497]
_cell_length_b [14.2841]
_cell_length_c [8.2451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Sb5As]
_chemical_formula_sum '[Ac12 Sb10 As2]'
_cell_volume [915.8545]
_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  8  0.2437  0.1622  0.2448  1
  Ac  Ac1  4  0.2422  0.0000  0.7542  1
  Sb  Sb2  4  0.0000  0.1694  0.5000  1
  Sb  Sb3  4  0.0000  0.3337  0.0000  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  As  As5  2  0.0000  0.0000  0.0000  1
]