data_[Ba2Nd1Dy1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  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 [7.5208]
_cell_length_b [4.3464]
_cell_length_c [7.8203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NdDySe4]
_chemical_formula_sum '[Ba2 Nd1 Dy1 Se4]'
_cell_volume [242.0941]
_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
  Ba  Ba1  1  0.5000  0.0000  0.5000  1
  Nd  Nd2  1  0.5000  0.5000  0.0000  1
  Dy  Dy3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2317  0.5000  0.2148  1
  Se  Se5  2  0.2530  0.0000  0.7812  1
]