data_[La3Sm7Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6488]
_cell_length_b [6.8677]
_cell_length_c [8.8046]
_cell_angle_alpha [100.1352]
_cell_angle_beta [98.8209]
_cell_angle_gamma [95.9631]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3Sm7Y]
_chemical_formula_sum '[La3 Sm7 Y1]'
_cell_volume [387.5244]
_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  2  0.1859  0.0598  0.1704  1
  La  La1  1  0.0000  0.5000  0.0000  1
  Sm  Sm2  2  0.0113  0.2700  0.5764  1
  Sm  Sm3  2  0.2900  0.7727  0.7906  1
  Sm  Sm4  2  0.4326  0.2885  0.8539  1
  Sm  Sm5  1  0.5000  0.0000  0.5000  1
  Y  Y6  1  0.5000  0.5000  0.5000  1
]