data_[Mn24Nb9Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8056]
_cell_length_b [4.8056]
_cell_length_c [23.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn8Nb3Zn]
_chemical_formula_sum '[Mn24 Nb9 Zn3]'
_cell_volume [471.3327]
_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
[
  Mn  Mn0  9  0.0009  0.5005  0.9370  1.0
  Mn  Mn1  9  0.0027  0.5013  0.4383  1.0
  Mn  Mn2  3  0.0000  0.0000  0.1873  1.0
  Mn  Mn3  3  0.0000  0.0000  0.6877  1.0
  Nb  Nb4  3  0.0000  0.0000  0.3754  1.0
  Nb  Nb5  3  0.0000  0.0000  0.5025  1.0
  Nb  Nb6  3  0.0000  0.0000  0.9967  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8745  1.0
]