data_[Y1Er3Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0400]
_cell_length_b [6.0400]
_cell_length_c [9.7517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YEr3Mg8]
_chemical_formula_sum '[Y1 Er3 Mg8]'
_cell_volume [308.0941]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.0000  0.4361  1.0
  Er  Er1  1  0.0000  0.0000  0.0621  1.0
  Er  Er2  1  0.6667  0.3333  0.5649  1.0
  Er  Er3  1  0.6667  0.3333  0.9372  1.0
  Mg  Mg4  3  0.1621  0.3243  0.7503  1.0
  Mg  Mg5  3  0.5046  0.0093  0.2497  1.0
  Mg  Mg6  1  0.3333  0.6667  0.5001  1.0
  Mg  Mg7  1  0.3333  0.6667  0.9997  1.0
]