data_[Cr2Se1Br2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4345]
_cell_length_b [4.8370]
_cell_length_c [8.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cr2SeBr2O]
_chemical_formula_sum '[Cr2 Se1 Br2 O1]'
_cell_volume [136.4922]
_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
[
  Cr  Cr0  1  0.0000  0.5000  0.8819  1
  Cr  Cr1  1  0.5000  0.0000  0.0900  1
  Se  Se2  1  0.5000  0.5000  0.1008  1
  Br  Br3  1  0.0000  0.0000  0.3217  1
  Br  Br4  1  0.5000  0.5000  0.6585  1
  O  O5  1  0.0000  0.0000  0.9471  1
]