data_[Tb12Mn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2219]
_cell_length_b [13.7791]
_cell_length_c [6.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3MnSe6]
_chemical_formula_sum '[Tb12 Mn4 Se24]'
_cell_volume [1060.5413]
_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
[
  Tb  Tb0  8  0.1813  0.0985  0.0178  1.0
  Tb  Tb1  4  0.0000  0.4005  0.1126  1.0
  Mn  Mn2  4  0.0000  0.2018  0.4771  1.0
  Se  Se3  8  0.1626  0.4678  0.8155  1.0
  Se  Se4  8  0.1700  0.2653  0.3003  1.0
  Se  Se5  4  0.0000  0.0391  0.3236  1.0
  Se  Se6  4  0.0000  0.2220  0.8341  1.0
]