data_[Y4Ge8Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0011]
_cell_length_b [7.0611]
_cell_length_c [6.9212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y2Ge4Mo3]
_chemical_formula_sum '[Y4 Ge8 Mo6]'
_cell_volume [322.8300]
_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  0.3098  0.1709  0.4435  1
  Ge  Ge1  4  0.0037  0.6371  0.8673  1
  Ge  Ge2  4  0.4082  0.5464  0.6404  1
  Mo  Mo3  4  0.2508  0.6587  0.2520  1
  Mo  Mo4  2  0.0000  0.0000  0.0000  1
]