data_[Pr6Co1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7033]
_cell_length_b [9.4857]
_cell_length_c [9.6310]
_cell_angle_alpha [108.5143]
_cell_angle_beta [105.3190]
_cell_angle_gamma [96.9886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr6CoBr10]
_chemical_formula_sum '[Pr6 Co1 Br10]'
_cell_volume [627.1470]
_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  0.0345  0.9031  0.7013  1.0
  Pr  Pr1  2  0.1225  0.7652  0.0470  1.0
  Pr  Pr2  2  0.3599  0.1864  0.1367  1.0
  Co  Co3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.0837  0.8283  0.3655  1.0
  Br  Br5  2  0.2119  0.6493  0.7472  1.0
  Br  Br6  2  0.2460  0.4575  0.0804  1.0
  Br  Br7  2  0.3465  0.2756  0.4521  1.0
  Br  Br8  2  0.4561  0.0808  0.8254  1.0
]