data_[La2Pa10P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9481]
_cell_length_b [12.0255]
_cell_length_c [6.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPa5P6]
_chemical_formula_sum '[La2 Pa10 P12]'
_cell_volume [547.1442]
_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  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.0000  0.1625  0.5000  1
  Pa  Pa2  4  0.0000  0.3327  0.0000  1
  Pa  Pa3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2425  0.3285  0.7429  1
  P  P5  4  0.2408  0.5000  0.2528  1
]