data_[Tb3Zr3Mn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8499]
_cell_length_b [4.8499]
_cell_length_c [9.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TbZrMn]
_chemical_formula_sum '[Tb3 Zr3 Mn3]'
_cell_volume [199.5322]
_cell_formula_units_Z [3]
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  0.6667  0.3333  0.8334  1
  Tb  Tb1  1  0.6667  0.3333  0.5000  1
  Zr  Zr2  2  0.3333  0.6667  0.6784  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  Mn  Mn4  2  0.0000  0.0000  0.3416  1
  Mn  Mn5  1  0.3333  0.6667  0.0000  1
]