data_[Mn5Ga4Pd3]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3423]
_cell_length_b [4.3423]
_cell_length_c [10.7329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mn5Ga4Pd3]
_chemical_formula_sum '[Mn5 Ga4 Pd3]'
_cell_volume [175.2656]
_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
[
  Mn  Mn0  2  0.6667  0.3333  0.3778  1
  Mn  Mn1  2  0.6667  0.3333  0.8786  1
  Mn  Mn2  1  0.3333  0.6667  0.0000  1
  Ga  Ga3  2  0.3333  0.6667  0.7501  1
  Ga  Ga4  1  0.0000  0.0000  0.0000  1
  Ga  Ga5  1  0.0000  0.0000  0.5000  1
  Pd  Pd6  2  0.0000  0.0000  0.2466  1
  Pd  Pd7  1  0.3333  0.6667  0.5000  1
]