data_[La7Pr2Y3]
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 [P2/m]
_cell_length_a [6.0968]
_cell_length_b [3.6957]
_cell_length_c [19.4115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La7Pr2Y3]
_chemical_formula_sum '[La7 Pr2 Y3]'
_cell_volume [436.3229]
_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
[
  La  La0  2  0.1691  0.5000  0.1794  1.0
  La  La1  2  0.2577  0.5000  0.5330  1.0
  La  La2  2  0.3315  0.0000  0.8537  1.0
  La  La3  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr4  2  0.3028  0.5000  0.6999  1.0
  Y  Y5  2  0.2106  0.0000  0.3651  1.0
  Y  Y6  1  0.5000  0.5000  0.0000  1.0
]