data_[Ac4In1Si1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9126]
_cell_length_b [4.6328]
_cell_length_c [8.3295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4InSiBr2]
_chemical_formula_sum '[Ac4 In1 Si1 Br2]'
_cell_volume [287.1268]
_cell_formula_units_Z [1]
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  0.2241  0.5000  0.2315  1
  Ac  Ac1  2  0.2346  0.0000  0.7617  1
  In  In2  1  0.0000  0.5000  0.5000  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
  Br  Br4  1  0.5000  0.0000  0.5000  1
  Br  Br5  1  0.5000  0.5000  0.0000  1
]