data_[Er6Zn6Co45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3460]
_cell_length_b [8.3460]
_cell_length_c [12.0933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Zn2Co15]
_chemical_formula_sum '[Er6 Zn6 Co45]'
_cell_volume [729.5056]
_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
[
  Er  Er0  6  0.0000  0.0000  0.3488  1.0
  Zn  Zn1  6  0.0000  0.0000  0.1033  1.0
  Co  Co2  18  0.0000  0.2903  0.0000  1.0
  Co  Co3  18  0.0041  0.5020  0.1498  1.0
  Co  Co4  9  0.0000  0.5000  0.5000  1.0
]