data_[La10Pr14Y2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.9850]
_cell_length_b [11.2122]
_cell_length_c [12.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [La5Pr7Y]
_chemical_formula_sum '[La10 Pr14 Y2]'
_cell_volume [954.8542]
_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
[
  La  La0  8  0.2221  0.2193  0.7822  1
  La  La1  2  0.0000  0.5000  0.2328  1
  Pr  Pr2  4  0.0000  0.3194  0.0188  1
  Pr  Pr3  4  0.0000  0.3306  0.5166  1
  Pr  Pr4  2  0.0000  0.0000  0.2711  1
  Pr  Pr5  2  0.0000  0.0000  0.5697  1
  Pr  Pr6  2  0.0000  0.5000  0.7542  1
  Y  Y7  2  0.0000  0.0000  0.9728  1
]