data_[Nd6Tm12Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1084]
_cell_length_b [4.9395]
_cell_length_c [11.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Tm6Zr]
_chemical_formula_sum '[Nd6 Tm12 Zr2]'
_cell_volume [612.0507]
_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  0.0019  0.7500  0.2472  1
  Nd  Nd1  2  0.2030  0.2500  0.3494  1
  Nd  Nd2  2  0.4013  0.7500  0.4500  1
  Tm  Tm3  2  0.1012  0.7500  0.5546  1
  Tm  Tm4  2  0.1075  0.2500  0.0470  1
  Tm  Tm5  2  0.2059  0.7500  0.8557  1
  Tm  Tm6  2  0.3027  0.2500  0.6639  1
  Tm  Tm7  2  0.3130  0.7500  0.1370  1
  Tm  Tm8  2  0.4962  0.7500  0.7692  1
  Zr  Zr9  2  0.4073  0.2500  0.9546  1
]