data_[Tb4Er5Mg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5362]
_cell_length_b [3.5362]
_cell_length_c [24.3163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb4Er5Mg]
_chemical_formula_sum '[Tb4 Er5 Mg1]'
_cell_volume [304.0722]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.1915  1
  Tb  Tb1  2  0.0000  0.0000  0.3974  1
  Er  Er2  2  0.5000  0.5000  0.0908  1
  Er  Er3  2  0.5000  0.5000  0.2946  1
  Er  Er4  1  0.5000  0.5000  0.5000  1
  Mg  Mg5  1  0.0000  0.0000  0.0000  1
]