data_[Er26Mg6]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0456]
_cell_length_b [11.1267]
_cell_length_c [12.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Er13Mg3]
_chemical_formula_sum '[Er26 Mg6]'
_cell_volume [940.9017]
_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  0.2486  0.2445  0.2897  1.0
  Er  Er1  4  0.0000  0.2491  0.0433  1.0
  Er  Er2  4  0.2482  0.0000  0.4612  1.0
  Er  Er3  4  0.5000  0.2462  0.5380  1.0
  Er  Er4  2  0.0000  0.0000  0.7144  1.0
  Er  Er5  2  0.5000  0.0000  0.1969  1.0
  Er  Er6  2  0.5000  0.0000  0.7189  1.0
  Mg  Mg7  4  0.2432  0.0000  0.9590  1.0
  Mg  Mg8  2  0.0000  0.0000  0.2082  1.0
]