data_[La12Sb10P2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9247]
_cell_length_b [13.7098]
_cell_length_c [7.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sb5P]
_chemical_formula_sum '[La12 Sb10 P2]'
_cell_volume [810.3727]
_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  0.2404  0.1600  0.2416  1
  La  La1  4  0.2381  0.0000  0.7559  1
  Sb  Sb2  4  0.0000  0.1711  0.5000  1
  Sb  Sb3  4  0.0000  0.3341  0.0000  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  P  P5  2  0.0000  0.0000  0.0000  1
]