data_[Na1Sr2Mn1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6054]
_cell_length_b [8.8449]
_cell_length_c [7.1439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaSr2MnBr8]
_chemical_formula_sum '[Na1 Sr2 Mn1 Br8]'
_cell_volume [417.3022]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2420  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2176  0.2026  0.1346  1.0
  Br  Br4  2  0.2383  0.0000  0.6712  1.0
  Br  Br5  2  0.2813  0.5000  0.6859  1.0
]