data_[Pr6Os1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7352]
_cell_length_b [9.4748]
_cell_length_c [9.7818]
_cell_angle_alpha [108.3346]
_cell_angle_beta [97.2215]
_cell_angle_gamma [105.4164]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr6OsBr10]
_chemical_formula_sum '[Pr6 Os1 Br10]'
_cell_volume [638.6299]
_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
[
  Pr  Pr0  2  0.1280  0.3560  0.3138  1.0
  Pr  Pr1  2  0.3717  0.4500  0.7514  1.0
  Pr  Pr2  2  0.4677  0.7878  0.5862  1.0
  Os  Os3  1  0.5000  0.5000  0.5000  1.0
  Br  Br4  2  0.0460  0.6754  0.4179  1.0
  Br  Br5  2  0.1508  0.0439  0.2283  1.0
  Br  Br6  2  0.2465  0.4142  0.0481  1.0
  Br  Br7  2  0.2973  0.7569  0.8454  1.0
  Br  Br8  2  0.4148  0.1322  0.6730  1.0
]