data_[Er20Tm4Zr4]
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 [Cmcm]
_cell_length_a [9.2455]
_cell_length_b [7.2491]
_cell_length_c [12.5772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er5TmZr]
_chemical_formula_sum '[Er20 Tm4 Zr4]'
_cell_volume [842.9433]
_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  16  0.2033  0.1227  0.1125  1
  Er  Er1  4  0.0000  0.3938  0.2500  1
  Tm  Tm2  4  0.0000  0.1915  0.7500  1
  Zr  Zr3  4  0.0000  0.5000  0.0000  1
]