data_[Dy3Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4814]
_cell_length_b [5.5080]
_cell_length_c [6.1071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Dy3Zr]
_chemical_formula_sum '[Dy3 Zr1]'
_cell_volume [117.1067]
_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
[
  Dy  Dy0  1  0.0000  0.5000  0.3191  1.0
  Dy  Dy1  1  0.5000  0.0000  0.5047  1.0
  Dy  Dy2  1  0.5000  0.5000  0.8405  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0023  1.0
]