data_[La1Pr1P2Rh2Se2]
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
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0401]
_cell_length_b [4.0401]
_cell_length_c [9.9815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaPrP2(RhSe)2]
_chemical_formula_sum '[La1 Pr1 P2 Rh2 Se2]'
_cell_volume [162.9244]
_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  1  0.0000  0.0000  0.2369  1
  Pr  Pr1  1  0.5000  0.5000  0.7610  1
  P  P2  1  0.0000  0.0000  0.6369  1
  P  P3  1  0.5000  0.5000  0.3681  1
  Rh  Rh4  2  0.0000  0.5000  0.5004  1
  Se  Se5  2  0.0000  0.5000  0.9981  1
]