data_[La2Pr2P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1111]
_cell_length_b [4.1138]
_cell_length_c [7.2215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPrP]
_chemical_formula_sum '[La2 Pr2 P2]'
_cell_volume [199.5974]
_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  2  0.0024  0.7500  0.2580  1.0
  Pr  Pr1  2  0.4953  0.7500  0.7392  1.0
  P  P2  2  0.2503  0.2500  0.4992  1.0
]