data_[Dy4Sc12P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.1226]
_cell_length_b [7.1226]
_cell_length_c [10.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [DySc3P]
_chemical_formula_sum '[Dy4 Sc12 P4]'
_cell_volume [511.2737]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.2500  1
  Sc  Sc1  8  0.2436  0.2564  0.0000  1
  Sc  Sc2  4  0.0000  0.0000  0.2500  1
  P  P3  4  0.0000  0.0000  0.0000  1
]