data_[Nd4Tm12Zr4]
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 [C2/m]
_cell_length_a [12.6906]
_cell_length_b [3.4760]
_cell_length_c [13.4375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTm3Zr]
_chemical_formula_sum '[Nd4 Tm12 Zr4]'
_cell_volume [591.2141]
_cell_formula_units_Z [4]
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  4  0.1631  0.0000  0.9123  1.0
  Tm  Tm1  4  0.0308  0.0000  0.6661  1.0
  Tm  Tm2  4  0.0708  0.5000  0.1236  1.0
  Tm  Tm3  4  0.2326  0.0000  0.2991  1.0
  Zr  Zr4  4  0.1393  0.5000  0.4841  1.0
]