data_[K1Mn1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.6833]
_cell_length_b [9.0211]
_cell_length_c [7.2045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KMn(PbBr4)2]
_chemical_formula_sum '[K1 Mn1 Pb2 Br8]'
_cell_volume [433.6861]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2351  0.5000  1.0
  Br  Br3  4  0.2227  0.1947  0.1377  1.0
  Br  Br4  2  0.2380  0.0000  0.6743  1.0
  Br  Br5  2  0.2850  0.5000  0.6547  1.0
]