data_[Mn2Bi6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [10.2350]
_cell_length_b [4.0543]
_cell_length_c [14.1456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn(BiSe2)3]
_chemical_formula_sum '[Mn2 Bi6 Se12]'
_cell_volume [568.4503]
_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
[
  Mn  Mn0  2  0.0500  0.7500  0.6225  1.0
  Bi  Bi1  2  0.1098  0.7500  0.1304  1.0
  Bi  Bi2  2  0.3459  0.7500  0.8983  1.0
  Bi  Bi3  2  0.3522  0.2500  0.5455  1.0
  Se  Se4  2  0.1082  0.2500  0.2657  1.0
  Se  Se5  2  0.1158  0.7500  0.4650  1.0
  Se  Se6  2  0.1589  0.2500  0.9695  1.0
  Se  Se7  2  0.2032  0.2500  0.6985  1.0
  Se  Se8  2  0.4551  0.7500  0.1036  1.0
  Se  Se9  2  0.4689  0.2500  0.3675  1.0
]