data_[Dy12Ga2P4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ga  1.8100  1.3000  0.7600
  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 [17.8464]
_cell_length_b [4.0189]
_cell_length_c [8.2663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6GaP2Se3]
_chemical_formula_sum '[Dy12 Ga2 P4 Se6]'
_cell_volume [575.6739]
_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  4  0.0038  0.0000  0.2487  1.0
  Dy  Dy1  4  0.1648  0.5000  0.0952  1.0
  Dy  Dy2  4  0.1720  0.5000  0.5717  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1675  0.0000  0.3353  1.0
  Se  Se5  4  0.1679  0.0000  0.8311  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]