data_[Dy4Ge1P1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0633]
_cell_length_b [4.0785]
_cell_length_c [7.1103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Dy4GePSe2]
_chemical_formula_sum '[Dy4 Ge1 P1 Se2]'
_cell_volume [193.3024]
_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
[
  Dy  Dy0  2  0.2423  0.0000  0.7316  1.0
  Dy  Dy1  2  0.2535  0.5000  0.2650  1.0
  Ge  Ge2  1  0.5000  0.0000  0.5000  1.0
  P  P3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.0000  0.0000  0.0000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]