data_[La10P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.2401]
_cell_length_b [18.1435]
_cell_length_c [18.1435]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaP]
_chemical_formula_sum '[La10 P10]'
_cell_volume [3204.3550]
_cell_formula_units_Z [10]
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  0.0371  0.8256  0.3885  1
  La  La1  1  0.0536  0.9872  0.6475  1
  La  La2  1  0.1080  0.0194  0.3541  1
  La  La3  1  0.1696  0.1763  0.6117  1
  La  La4  1  0.3016  0.9562  0.4897  1
  La  La5  1  0.5370  0.1370  0.4720  1
  La  La6  1  0.5535  0.1000  0.6778  1
  La  La7  1  0.6080  0.8934  0.3204  1
  La  La8  1  0.6696  0.8610  0.5273  1
  La  La9  1  0.8016  0.0446  0.5134  1
  P  P10  1  0.0498  0.0216  0.5074  1
  P  P11  1  0.1569  0.8422  0.5275  1
  P  P12  1  0.2217  0.8733  0.3127  1
  P  P13  1  0.2823  0.0868  0.6745  1
  P  P14  1  0.2843  0.1220  0.4622  1
  P  P15  1  0.5498  0.9793  0.4961  1
  P  P16  1  0.6569  0.1982  0.6229  1
  P  P17  1  0.7217  0.0382  0.3570  1
  P  P18  1  0.7823  0.0005  0.6514  1
  P  P19  1  0.7843  0.8373  0.3859  1
]