data_[La6Pr1Sm5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3641]
_cell_length_b [7.4966]
_cell_length_c [8.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La6PrSm5]
_chemical_formula_sum '[La6 Pr1 Sm5]'
_cell_volume [428.5261]
_cell_formula_units_Z [1]
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  0.1671  0.2505  0.6658  1.0
  La  La1  2  0.5000  0.2518  0.0000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  2  0.3321  0.5000  0.3336  1.0
  Sm  Sm4  2  0.3331  0.0000  0.3336  1.0
  Sm  Sm5  1  0.0000  0.5000  0.0000  1.0
]