data_[Nd1Sm3Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1953]
_cell_length_b [3.5811]
_cell_length_c [11.7724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdSm3Er4]
_chemical_formula_sum '[Nd1 Sm3 Er4]'
_cell_volume [257.0839]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.0000  1
  Sm  Sm1  1  0.0000  0.0000  0.5000  1
  Sm  Sm2  1  0.5000  0.0000  0.0000  1
  Sm  Sm3  1  0.5000  0.5000  0.5000  1
  Er  Er4  2  0.2498  0.5000  0.7494  1
  Er  Er5  2  0.2505  0.0000  0.2507  1
]