data_[Na4Mg4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0891]
_cell_length_b [3.6541]
_cell_length_c [7.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMgGa]
_chemical_formula_sum '[Na4 Mg4 Ga4]'
_cell_volume [270.8350]
_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
[
  Na  Na0  4  0.1536  0.5000  0.5742  1.0
  Mg  Mg1  4  0.1657  0.5000  0.0848  1.0
  Ga  Ga2  4  0.0107  0.0000  0.7948  1.0
]