data_[Na2Mn2In4Br12]
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 [P2_1/c]
_cell_length_a [7.1838]
_cell_length_b [7.8540]
_cell_length_c [12.5957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaMn(InBr3)2]
_chemical_formula_sum '[Na2 Mn2 In4 Br12]'
_cell_volume [600.5714]
_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  0.5000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.2984  0.0824  0.2674  1
  Br  Br3  4  0.0907  0.0620  0.7345  1
  Br  Br4  4  0.2380  0.7100  0.5785  1
  Br  Br5  4  0.3563  0.1731  0.5494  1
]