data_[Y6Co1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.3525]
_cell_length_b [9.0704]
_cell_length_c [9.2341]
_cell_angle_alpha [107.5407]
_cell_angle_beta [96.6326]
_cell_angle_gamma [104.4356]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y6CoBr10]
_chemical_formula_sum '[Y6 Co1 Br10]'
_cell_volume [556.3921]
_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
[
  Y  Y0  2  0.1464  0.3693  0.3255  1.0
  Y  Y1  2  0.3757  0.4516  0.7442  1.0
  Y  Y2  2  0.4632  0.7830  0.5847  1.0
  Co  Co3  1  0.5000  0.5000  0.5000  1.0
  Br  Br4  2  0.0462  0.6819  0.4135  1.0
  Br  Br5  2  0.1635  0.0515  0.2280  1.0
  Br  Br6  2  0.2526  0.4174  0.0436  1.0
  Br  Br7  2  0.2752  0.7519  0.8417  1.0
  Br  Br8  2  0.4127  0.1269  0.6731  1.0
]