data_[Nd4Er1Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [10.9011]
_cell_length_b [10.9011]
_cell_length_c [3.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd4ErTm6]
_chemical_formula_sum '[Nd4 Er1 Tm6]'
_cell_volume [362.5056]
_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  3  0.3898  0.1949  0.5000  1
  Nd  Nd1  1  0.3333  0.6667  0.0000  1
  Er  Er2  1  0.0000  0.0000  0.0000  1
  Tm  Tm3  3  0.0071  0.5036  0.0000  1
  Tm  Tm4  3  0.1687  0.8313  0.5000  1
]