data_[Mn4Ga24]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6030]
_cell_length_b [6.5599]
_cell_length_c [8.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnGa6]
_chemical_formula_sum '[Mn4 Ga24]'
_cell_volume [444.4472]
_cell_formula_units_Z [4]
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  4  0.0000  0.4473  0.2500  1.0
  Ga  Ga1  8  0.0000  0.1317  0.0996  1.0
  Ga  Ga2  8  0.1735  0.5000  0.0000  1.0
  Ga  Ga3  8  0.1795  0.2211  0.7500  1.0
]