data_[Nd2Sm4Er16]
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 [C2/m]
_cell_length_a [18.0626]
_cell_length_b [4.9979]
_cell_length_c [7.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(SmEr4)2]
_chemical_formula_sum '[Nd2 Sm4 Er16]'
_cell_volume [693.4383]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  4  0.2274  0.0000  0.6368  1.0
  Er  Er2  4  0.0452  0.0000  0.7263  1.0
  Er  Er3  4  0.0902  0.5000  0.4556  1.0
  Er  Er4  4  0.1366  0.0000  0.1811  1.0
  Er  Er5  4  0.1818  0.5000  0.9082  1.0
]