data_[Cr6Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8877]
_cell_length_b [6.8877]
_cell_length_c [3.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cr3Ga2]
_chemical_formula_sum '[Cr6 Ga4]'
_cell_volume [144.1858]
_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
[
  Cr  Cr0  4  0.1662  0.6662  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1336  0.3664  0.0000  1
]