data_[La6Tb4Sm2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2142]
_cell_length_b [12.4947]
_cell_length_c [7.2167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Tb2SmP6]
_chemical_formula_sum '[La6 Tb4 Sm2 P12]'
_cell_volume [613.3671]
_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  0.0000  0.1663  0.5000  1
  Tb  Tb1  4  0.0000  0.3332  0.0000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2477  0.1680  0.2392  1
  P  P5  4  0.2436  0.5000  0.2388  1
]