data_[Sm3Ge3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2576]
_cell_length_b [7.2576]
_cell_length_c [3.8219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [SmGeOs]
_chemical_formula_sum '[Sm3 Ge3 Os3]'
_cell_volume [174.3370]
_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
[
  Sm  Sm0  3  0.0000  0.4027  0.0000  1
  Ge  Ge1  2  0.3333  0.6667  0.5000  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  Os  Os3  3  0.0000  0.7596  0.5000  1
]