data_[Sr6Er3Mg9Cd36]
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
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5411]
_cell_length_b [6.5411]
_cell_length_c [41.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Er(MgCd4)3]
_chemical_formula_sum '[Sr6 Er3 Mg9 Cd36]'
_cell_volume [1525.7785]
_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  6  0.0000  0.0000  0.3590  1
  Er  Er1  3  0.0000  0.0000  0.0000  1
  Mg  Mg2  9  0.0000  0.5000  0.5000  1
  Cd  Cd3  18  0.0046  0.5023  0.3914  1
  Cd  Cd4  18  0.0271  0.5136  0.1127  1
]