data_[La12As4P6Cl2]
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 [18.7194]
_cell_length_b [4.2947]
_cell_length_c [8.6400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6As2P3Cl]
_chemical_formula_sum '[La12 As4 P6 Cl2]'
_cell_volume [675.0335]
_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  0.0022  0.0000  0.7316  1.0
  La  La1  4  0.1660  0.5000  0.5855  1.0
  La  La2  4  0.1720  0.5000  0.0812  1.0
  As  As3  4  0.1642  0.0000  0.3279  1.0
  P  P4  4  0.1653  0.0000  0.8348  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]