data_[Ca4Pr12Dy2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.7445]
_cell_length_b [14.1299]
_cell_length_c [5.5872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2Pr6Dy]
_chemical_formula_sum '[Ca4 Pr12 Dy2]'
_cell_volume [690.3401]
_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
[
  Ca  Ca0  4  0.0000  0.2127  0.5000  1
  Pr  Pr1  8  0.1843  0.3665  0.0000  1
  Pr  Pr2  4  0.2294  0.5000  0.5000  1
  Dy  Dy3  2  0.0000  0.0000  0.0000  1
]