data_[La8P2Cl10]
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 [C2/m]
_cell_length_a [18.4094]
_cell_length_b [4.1288]
_cell_length_c [8.4939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4PCl5]
_chemical_formula_sum '[La8 P2 Cl10]'
_cell_volume [623.0034]
_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  4  0.0004  0.0000  0.7718  1.0
  La  La1  4  0.1557  0.5000  0.0958  1.0
  P  P2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1657  0.0000  0.3392  1.0
  Cl  Cl4  4  0.1710  0.0000  0.8542  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]