data_[Mn4Al12Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7175]
_cell_length_b [7.2722]
_cell_length_c [2.7550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnAl3Ga]
_chemical_formula_sum '[Mn4 Al12 Ga4]'
_cell_volume [312.5303]
_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  0.2217  0.5000  0.9716  1
  Al  Al1  8  0.1694  0.1916  0.4449  1
  Al  Al2  4  0.0796  0.5000  0.3393  1
  Ga  Ga3  4  0.0000  0.1763  0.5000  1
]