data_[La12Sb6P4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4209]
_cell_length_b [4.4494]
_cell_length_c [8.9572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sb3P2Se]
_chemical_formula_sum '[La12 Sb6 P4 Se2]'
_cell_volume [752.5802]
_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  0.0066  0.0000  0.2491  1.0
  La  La1  4  0.1667  0.5000  0.0988  1.0
  La  La2  4  0.1718  0.5000  0.5715  1.0
  Sb  Sb3  4  0.1641  0.0000  0.8333  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1667  0.0000  0.3325  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]