data_[Tb2Sc2Se2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4642]
_cell_length_b [3.9769]
_cell_length_c [7.3984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbScSeO2]
_chemical_formula_sum '[Tb2 Sc2 Se2 O4]'
_cell_volume [177.3992]
_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  0.3111  0.7500  0.0647  1.0
  Sc  Sc1  2  0.3447  0.7500  0.5716  1.0
  Se  Se2  2  0.0315  0.2500  0.7548  1.0
  O  O3  2  0.4689  0.2500  0.6034  1.0
  O  O4  2  0.4874  0.2500  0.1337  1.0
]