data_[La4P8]
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 [P2_1/c]
_cell_length_a [4.1386]
_cell_length_b [6.6658]
_cell_length_c [10.3096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaP2]
_chemical_formula_sum '[La4 P8]'
_cell_volume [273.6231]
_cell_formula_units_Z [4]
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  4  0.0821  0.6815  0.8603  1
  P  P1  4  0.3088  0.1212  0.9539  1
  P  P2  4  0.4671  0.6663  0.1636  1
]