data_[La12As2P6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  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 [7.3470]
_cell_length_b [12.7504]
_cell_length_c [7.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AsP3Cl2]
_chemical_formula_sum '[La12 As2 P6 Cl4]'
_cell_volume [663.4759]
_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  8  0.2471  0.3383  0.7265  1.0
  La  La1  4  0.2330  0.0000  0.7281  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.1678  0.5000  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  4  0.0000  0.3332  0.0000  1.0
]