data_[Sr8Mn4Bi4Se20]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2031]
_cell_length_b [18.4988]
_cell_length_c [13.0142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnBiSe5]
_chemical_formula_sum '[Sr8 Mn4 Bi4 Se20]'
_cell_volume [1011.8761]
_cell_formula_units_Z [4]
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  4  0.0000  0.1151  0.6874  1.0
  Sr  Sr1  4  0.0000  0.1199  0.3371  1.0
  Mn  Mn2  4  0.0000  0.4498  0.4217  1.0
  Bi  Bi3  4  0.0000  0.2002  0.0365  1.0
  Se  Se4  4  0.0000  0.0243  0.0120  1.0
  Se  Se5  4  0.0000  0.2897  0.6911  1.0
  Se  Se6  4  0.0000  0.3226  0.3691  1.0
  Se  Se7  4  0.0000  0.3495  0.0129  1.0
  Se  Se8  4  0.0000  0.4947  0.7562  1.0
]