data_[Y6Er3Zr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4832]
_cell_length_b [3.4832]
_cell_length_c [33.5768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y2ErZr]
_chemical_formula_sum '[Y6 Er3 Zr3]'
_cell_volume [352.8084]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.7545  1.0
  Y  Y1  3  0.0000  0.0000  0.9123  1.0
  Er  Er2  3  0.0000  0.0000  0.3338  1.0
  Zr  Zr3  3  0.0000  0.0000  0.4995  1.0
]