data_[Tb4Mn4In4Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3856]
_cell_length_b [4.1500]
_cell_length_c [9.1451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbMnInSe3]
_chemical_formula_sum '[Tb4 Mn4 In4 Se12]'
_cell_volume [640.0118]
_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  4  0.1718  0.0000  0.5930  1
  Mn  Mn1  4  0.0041  0.5000  0.7140  1
  In  In2  4  0.1383  0.0000  0.0640  1
  Se  Se3  4  0.1580  0.5000  0.7967  1
  Se  Se4  4  0.1594  0.5000  0.3652  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]