data_[Tb2Mn2Se6]
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 [P2_1/m]
_cell_length_a [7.3463]
_cell_length_b [3.9453]
_cell_length_c [7.9543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbMnSe3]
_chemical_formula_sum '[Tb2 Mn2 Se6]'
_cell_volume [229.7977]
_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
[
  Tb  Tb0  2  0.3728  0.2500  0.2129  1.0
  Mn  Mn1  2  0.1539  0.7500  0.6596  1.0
  Se  Se2  2  0.0937  0.7500  0.3374  1.0
  Se  Se3  2  0.2785  0.7500  0.9583  1.0
  Se  Se4  2  0.3764  0.2500  0.5960  1.0
]