data_[Pr4Nd7Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4280]
_cell_length_b [7.3990]
_cell_length_c [9.2273]
_cell_angle_alpha [89.8665]
_cell_angle_beta [76.4421]
_cell_angle_gamma [89.8731]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr4Nd7Y]
_chemical_formula_sum '[Pr4 Nd7 Y1]'
_cell_volume [426.6294]
_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
[
  Pr  Pr0  2  0.2208  0.5006  0.3312  1
  Pr  Pr1  2  0.2808  0.2484  0.6696  1
  Nd  Nd2  2  0.2186  0.0007  0.3315  1
  Nd  Nd3  2  0.2802  0.7512  0.6705  1
  Nd  Nd4  2  0.5000  0.7511  0.9998  1
  Nd  Nd5  1  0.0000  0.5000  0.0000  1
  Y  Y6  1  0.0000  0.0000  0.0000  1
]