data_[La3Sm1Y7]
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 [P2/m]
_cell_length_a [7.0251]
_cell_length_b [5.6009]
_cell_length_c [10.2043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La3SmY7]
_chemical_formula_sum '[La3 Sm1 Y7]'
_cell_volume [379.3800]
_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  0.2167  0.5000  0.0029  1
  La  La1  1  0.5000  0.0000  0.5000  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  Y  Y3  2  0.0778  0.0000  0.1711  1
  Y  Y4  2  0.1781  0.5000  0.3660  1
  Y  Y5  2  0.3554  0.5000  0.7124  1
  Y  Y6  1  0.5000  0.0000  0.0000  1
]