data_[Er12Mg4In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4285]
_cell_length_b [5.4285]
_cell_length_c [22.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er6Mg2In3]
_chemical_formula_sum '[Er12 Mg4 In6]'
_cell_volume [661.0767]
_cell_formula_units_Z [2]
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  8  0.0000  0.5000  0.0955  1
  Er  Er1  4  0.0000  0.0000  0.3029  1
  Mg  Mg2  4  0.0000  0.0000  0.4445  1
  In  In3  4  0.0000  0.0000  0.1662  1
  In  In4  2  0.0000  0.0000  0.0000  1
]