data_[Mn4Ga2Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1068]
_cell_length_b [4.1068]
_cell_length_c [10.0889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mn2GaNi3]
_chemical_formula_sum '[Mn4 Ga2 Ni6]'
_cell_volume [147.3604]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.1675  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Mn  Mn2  1  0.0000  0.0000  0.5000  1
  Ga  Ga3  2  0.3333  0.6667  0.6664  1
  Ni  Ni4  2  0.0000  0.0000  0.2499  1
  Ni  Ni5  2  0.3333  0.6667  0.4178  1
  Ni  Ni6  2  0.3333  0.6667  0.9181  1
]