data_[La4Sm7Er1]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6558]
_cell_length_b [3.6558]
_cell_length_c [35.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La4Sm7Er]
_chemical_formula_sum '[La4 Sm7 Er1]'
_cell_volume [415.4561]
_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  0.3333  0.6667  0.6649  1
  La  La1  2  0.3333  0.6667  0.9159  1
  Sm  Sm2  2  0.0000  0.0000  0.2505  1
  Sm  Sm3  2  0.3333  0.6667  0.1687  1
  Sm  Sm4  2  0.3333  0.6667  0.4201  1
  Sm  Sm5  1  0.0000  0.0000  0.0000  1
  Er  Er6  1  0.0000  0.0000  0.5000  1
]