data_[La4P2Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2212]
_cell_length_b [4.2212]
_cell_length_c [17.2373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La4P2Cl3]
_chemical_formula_sum '[La4 P2 Cl3]'
_cell_volume [265.9977]
_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  2  0.0000  0.0000  0.2985  1
  La  La1  2  0.3333  0.6667  0.8882  1
  P  P2  2  0.3333  0.6667  0.2037  1
  Cl  Cl3  2  0.3333  0.6667  0.6041  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
]