data_[Er2Tm16Zr4]
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/m]
_cell_length_a [8.7284]
_cell_length_b [15.4829]
_cell_length_c [5.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(Tm4Zr)2]
_chemical_formula_sum '[Er2 Tm16 Zr4]'
_cell_volume [640.2353]
_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
[
  Er  Er0  2  0.0000  0.0000  0.5000  1
  Tm  Tm1  8  0.2196  0.8767  0.1742  1
  Tm  Tm2  4  0.0000  0.2101  0.5000  1
  Tm  Tm3  4  0.0707  0.5000  0.2929  1
  Zr  Zr4  4  0.0000  0.3092  0.0000  1
]