data_[Na2Mn2In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.6707]
_cell_length_b [6.6707]
_cell_length_c [12.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaMnInBr6]
_chemical_formula_sum '[Na2 Mn2 In2 Br12]'
_cell_volume [544.4357]
_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
[
  Na  Na0  2  0.0000  0.0000  0.9987  1.0
  Mn  Mn1  2  0.0000  0.0000  0.6696  1.0
  In  In2  2  0.0000  0.0000  0.3317  1.0
  Br  Br3  4  0.1838  0.8162  0.5028  1.0
  Br  Br4  4  0.2024  0.7976  0.8210  1.0
  Br  Br5  4  0.2042  0.7958  0.1762  1.0
]