data_[Nb6Ga10Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.9307]
_cell_length_b [7.9307]
_cell_length_c [5.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Nb6Ga10Mo]
_chemical_formula_sum '[Nb6 Ga10 Mo1]'
_cell_volume [288.0661]
_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
[
  Nb  Nb0  6  0.0000  0.3864  0.2860  1
  Ga  Ga1  6  0.0000  0.2574  0.8019  1
  Ga  Ga2  2  0.3333  0.6667  0.5000  1
  Ga  Ga3  2  0.3333  0.6667  0.0000  1
  Mo  Mo4  1  0.0000  0.0000  0.5000  1
]