data_[Ti2Mn4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3913]
_cell_length_b [4.3913]
_cell_length_c [6.8133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [TiMn2Ga]
_chemical_formula_sum '[Ti2 Mn4 Ga2]'
_cell_volume [113.7825]
_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
[
  Ti  Ti0  2  0.3333  0.6667  0.7500  1
  Mn  Mn1  4  0.3333  0.6667  0.0889  1
  Ga  Ga2  2  0.0000  0.0000  0.2500  1
]