data_[Sr1Mn1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7488]
_cell_length_b [8.8761]
_cell_length_c [7.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrMn(PbBr4)2]
_chemical_formula_sum '[Sr1 Mn1 Pb2 Br8]'
_cell_volume [424.9541]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.5000  0.2357  0.5000  1
  Br  Br3  4  0.2255  0.2212  0.1500  1
  Br  Br4  2  0.2359  0.0000  0.6834  1
  Br  Br5  2  0.2614  0.5000  0.6519  1
]