data_[Mn2As2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3680]
_cell_length_b [3.9351]
_cell_length_c [7.1384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnAsBrO2]
_chemical_formula_sum '[Mn2 As2 Br2 O4]'
_cell_volume [173.5929]
_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
[
  Mn  Mn0  2  0.3190  0.2500  0.0679  1.0
  As  As1  2  0.3577  0.2500  0.5960  1.0
  Br  Br2  2  0.0472  0.7500  0.8024  1.0
  O  O3  2  0.4597  0.7500  0.5820  1.0
  O  O4  2  0.4740  0.7500  0.1540  1.0
]