data_[Y4Si8Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8722]
_cell_length_b [6.9383]
_cell_length_c [6.7599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y2Si4Mo3]
_chemical_formula_sum '[Y4 Si8 Mo6]'
_cell_volume [304.9819]
_cell_formula_units_Z [2]
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  4  0.1908  0.1698  0.0622  1.0
  Si  Si1  4  0.0903  0.5450  0.8686  1.0
  Si  Si2  4  0.4952  0.6314  0.6281  1.0
  Mo  Mo3  4  0.2496  0.6627  0.2489  1.0
  Mo  Mo4  2  0.5000  0.0000  0.5000  1.0
]