data_[Ca2Dy2Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7188]
_cell_length_b [3.8821]
_cell_length_c [6.3475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaDyFe2]
_chemical_formula_sum '[Ca2 Dy2 Fe4]'
_cell_volume [195.2684]
_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  0.5000  0.0000  1
  Dy  Dy1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  4  0.2437  0.5000  0.5948  1
]