data_[Dy2Ni2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3181]
_cell_length_b [4.0497]
_cell_length_c [6.9492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [DyNiSe2]
_chemical_formula_sum '[Dy2 Ni2 Se4]'
_cell_volume [177.5352]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  1  0.0000  0.5000  0.5000  1
  Ni  Ni2  2  0.3512  0.5000  0.8487  1
  Se  Se3  2  0.2651  0.0000  0.6783  1
  Se  Se4  2  0.2690  0.5000  0.1793  1
]