data_[Dy12P2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0379]
_cell_length_b [12.2142]
_cell_length_c [7.0583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6PSe5]
_chemical_formula_sum '[Dy12 P2 Se10]'
_cell_volume [572.5509]
_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  8  0.2353  0.1570  0.2358  1
  Dy  Dy1  4  0.2352  0.0000  0.7631  1
  P  P2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1711  0.5000  1
  Se  Se4  4  0.0000  0.3338  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]