data_[Tb4Ho12Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0887]
_cell_length_b [3.4450]
_cell_length_c [9.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbHo3Zr]
_chemical_formula_sum '[Tb4 Ho12 Zr4]'
_cell_volume [587.8882]
_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
[
  Tb  Tb0  4  0.1032  0.5000  0.0589  1.0
  Ho  Ho1  4  0.0025  0.0000  0.2505  1.0
  Ho  Ho2  4  0.1066  0.5000  0.5453  1.0
  Ho  Ho3  4  0.2037  0.0000  0.8410  1.0
  Zr  Zr4  4  0.2045  0.0000  0.3635  1.0
]