data_[Al1Cr4Ga1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8547]
_cell_length_b [2.8547]
_cell_length_c [12.6141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [AlCr4GaC2]
_chemical_formula_sum '[Al1 Cr4 Ga1 C2]'
_cell_volume [89.0269]
_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
[
  Al  Al0  1  0.6667  0.3333  0.0000  1.0
  Cr  Cr1  2  0.3333  0.6667  0.1658  1.0
  Cr  Cr2  2  0.6667  0.3333  0.3353  1.0
  Ga  Ga3  1  0.3333  0.6667  0.5000  1.0
  C  C4  2  0.0000  0.0000  0.2504  1.0
]