data_[Ac4Te2Ru1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1189]
_cell_length_b [4.4447]
_cell_length_c [8.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Te2RuBr]
_chemical_formula_sum '[Ac4 Te2 Ru1 Br1]'
_cell_volume [284.7997]
_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  0.2753  0.5000  0.2292  1
  Ac  Ac1  2  0.2890  0.0000  0.7899  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Ru  Ru4  1  0.5000  0.5000  0.0000  1
  Br  Br5  1  0.0000  0.0000  0.0000  1
]