data_[Mg3Ga2B1Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8800]
_cell_length_b [6.8800]
_cell_length_c [3.1298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Mg3Ga2BRu3]
_chemical_formula_sum '[Mg3 Ga2 B1 Ru3]'
_cell_volume [128.2989]
_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
[
  Mg  Mg0  3  0.0000  0.6292  0.0000  1.0
  Ga  Ga1  2  0.3333  0.6667  0.5000  1.0
  B  B2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  3  0.0000  0.2482  0.5000  1.0
]