data_[Y3Ga120Mo24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0916]
_cell_length_b [14.0916]
_cell_length_c [15.3140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y(Ga5Mo)8]
_chemical_formula_sum '[Y3 Ga120 Mo24]'
_cell_volume [2633.5446]
_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
[
  Y  Y0  3  0.0000  0.0000  0.0000  1
  Ga  Ga1  18  0.0041  0.8170  0.7815  1
  Ga  Ga2  18  0.0113  0.8425  0.1272  1
  Ga  Ga3  18  0.0127  0.3596  0.4314  1
  Ga  Ga4  18  0.0129  0.1284  0.6600  1
  Ga  Ga5  18  0.0332  0.4917  0.6622  1
  Ga  Ga6  18  0.0961  0.5612  0.1729  1
  Ga  Ga7  9  0.0000  0.5000  0.0000  1
  Ga  Ga8  3  0.0000  0.0000  0.5000  1
  Mo  Mo9  18  0.0145  0.3056  0.5953  1
  Mo  Mo10  6  0.0000  0.0000  0.2099  1
]