data_[Mg3Sc12Ga6Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7512]
_cell_length_b [4.7512]
_cell_length_c [23.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MgSc4Ga2Os]
_chemical_formula_sum '[Mg3 Sc12 Ga6 Os3]'
_cell_volume [455.6513]
_cell_formula_units_Z [3]
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  0.0000  0.0000  1
  Sc  Sc1  6  0.0000  0.0000  0.1318  1
  Sc  Sc2  6  0.0000  0.0000  0.3848  1
  Ga  Ga3  6  0.0000  0.0000  0.2576  1
  Os  Os4  3  -0.0000  -0.0000  0.5000  1
]