data_[Nb9Sn3Ge3Mo9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2759]
_cell_length_b [7.2759]
_cell_length_c [8.9364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nb3SnGeMo3]
_chemical_formula_sum '[Nb9 Sn3 Ge3 Mo9]'
_cell_volume [409.7042]
_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
[
  Nb  Nb0  9  0.0840  0.6704  0.4150  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0010  1.0
  Ge  Ge2  3  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  9  0.0025  0.2506  0.2514  1.0
]