data_[Sr3Er3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0723]
_cell_length_b [9.0723]
_cell_length_c [13.2388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrErZn17]
_chemical_formula_sum '[Sr3 Er3 Zn51]'
_cell_volume [943.6633]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.6627  1
  Er  Er1  3  0.0000  0.0000  0.3349  1
  Zn  Zn2  18  0.0023  0.2962  0.9997  1
  Zn  Zn3  9  0.0021  0.5010  0.4995  1
  Zn  Zn4  9  0.0144  0.5072  0.1524  1
  Zn  Zn5  9  0.1680  0.3360  0.1806  1
  Zn  Zn6  3  0.0000  0.0000  0.1029  1
  Zn  Zn7  3  0.0000  0.0000  0.9041  1
]