data_[Mg3Mn3Ni6Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3352]
_cell_length_b [4.3352]
_cell_length_c [21.5960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgMn(NiSb)2]
_chemical_formula_sum '[Mg3 Mn3 Ni6 Sb6]'
_cell_volume [351.4998]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.0029  1
  Mn  Mn1  3  0.0000  0.0000  0.4966  1
  Ni  Ni2  3  0.0000  0.0000  0.2487  1
  Ni  Ni3  3  0.0000  0.0000  0.7554  1
  Sb  Sb4  3  0.0000  0.0000  0.1289  1
  Sb  Sb5  3  0.0000  0.0000  0.6175  1
]