data_[Er16Tm4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7499]
_cell_length_b [14.1039]
_cell_length_c [6.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4TmZr]
_chemical_formula_sum '[Er16 Tm4 Zr4]'
_cell_volume [718.6260]
_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
[
  Er  Er0  8  0.0949  0.1880  0.0409  1
  Er  Er1  8  0.2084  0.3861  0.3652  1
  Tm  Tm2  4  0.0000  0.4059  0.7500  1
  Zr  Zr3  4  0.0000  0.0025  0.2500  1
]