data_[Ca2Dy10Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4180]
_cell_length_b [16.2402]
_cell_length_c [7.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaDy5Mg6]
_chemical_formula_sum '[Ca2 Dy10 Mg12]'
_cell_volume [666.6237]
_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  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  4  0.0000  0.3310  0.0000  1
  Dy  Dy2  4  0.0000  0.3339  0.5000  1
  Dy  Dy3  2  0.0000  0.0000  0.5000  1
  Mg  Mg4  8  0.0000  0.1681  0.2531  1
  Mg  Mg5  4  0.0000  0.5000  0.2542  1
]