data_[Ce4Dy4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8825]
_cell_length_b [3.6763]
_cell_length_c [7.7252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeDyB]
_chemical_formula_sum '[Ce4 Dy4 B4]'
_cell_volume [259.8134]
_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
[
  Ce  Ce0  4  0.1964  0.5000  0.5753  1
  Dy  Dy1  4  0.0845  0.0000  0.8752  1
  B  B2  4  0.0802  0.5000  0.1321  1
]