data_[Sm3Dy12Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9979]
_cell_length_b [4.9979]
_cell_length_c [19.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm3Dy12Zr]
_chemical_formula_sum '[Sm3 Dy12 Zr1]'
_cell_volume [498.7294]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  2  0.0000  0.0000  0.2474  1
  Sm  Sm1  1  0.0000  0.0000  0.5000  1
  Dy  Dy2  4  0.0000  0.5000  0.1169  1
  Dy  Dy3  4  0.0000  0.5000  0.3727  1
  Dy  Dy4  2  0.5000  0.5000  0.2461  1
  Dy  Dy5  1  0.5000  0.5000  0.0000  1
  Dy  Dy6  1  0.5000  0.5000  0.5000  1
  Zr  Zr7  1  0.0000  0.0000  0.0000  1
]