data_[Tb1Mg1Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3165]
_cell_length_b [3.3165]
_cell_length_c [8.2307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbMgZr]
_chemical_formula_sum '[Tb1 Mg1 Zr1]'
_cell_volume [78.4013]
_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  1  0.3333  0.6667  0.6538  1
  Mg  Mg1  1  0.0000  0.0000  0.0128  1
  Zr  Zr2  1  0.6667  0.3333  0.3333  1
]