data_[Tb4Er7Mg1]
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 [P-3m1]
_cell_length_a [3.5118]
_cell_length_b [3.5118]
_cell_length_c [34.2063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb4Er7Mg]
_chemical_formula_sum '[Tb4 Er7 Mg1]'
_cell_volume [365.3400]
_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  0.3333  0.6667  0.0845  1.0
  Tb  Tb1  2  0.3333  0.6667  0.3377  1.0
  Er  Er2  2  0.0000  0.0000  0.2528  1.0
  Er  Er3  2  0.3333  0.6667  0.5781  1.0
  Er  Er4  2  0.3333  0.6667  0.8307  1.0
  Er  Er5  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg6  1  0.0000  0.0000  0.5000  1.0
]