data_[P2Ru4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.3456]
_cell_length_b [3.6297]
_cell_length_c [6.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PRu2Br]
_chemical_formula_sum '[P2 Ru4 Br2]'
_cell_volume [148.4788]
_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
[
  P  P0  2  0.1928  0.5000  0.9964  1
  Ru  Ru1  2  0.3813  0.0000  0.1366  1
  Ru  Ru2  2  0.4969  0.5000  0.8386  1
  Br  Br3  2  0.4290  0.0000  0.5284  1
]