data_[Ba2Tb2Mn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [6.9175]
_cell_length_b [6.5448]
_cell_length_c [8.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTbMnSe4]
_chemical_formula_sum '[Ba2 Tb2 Mn2 Se8]'
_cell_volume [386.2425]
_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
[
  Ba  Ba0  2  0.2521  0.7500  0.0597  1.0
  Tb  Tb1  2  0.2453  0.7500  0.5575  1.0
  Mn  Mn2  2  0.2351  0.2500  0.3250  1.0
  Se  Se3  4  0.0172  0.0102  0.7187  1.0
  Se  Se4  2  0.4246  0.2500  0.1391  1.0
  Se  Se5  2  0.4350  0.2500  0.5927  1.0
]