data_[Ba2Tb1Dy1Se4]
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
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4180]
_cell_length_b [4.3028]
_cell_length_c [7.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2TbDySe4]
_chemical_formula_sum '[Ba2 Tb1 Dy1 Se4]'
_cell_volume [235.9296]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  1  0.5000  0.5000  0.0000  1.0
  Dy  Dy3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2366  0.5000  0.2122  1.0
  Se  Se5  2  0.2613  0.0000  0.7873  1.0
]