data_[Tm4Ge8Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [6.9617]
_cell_length_b [7.0191]
_cell_length_c [6.8597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm2Ge4Mo3]
_chemical_formula_sum '[Tm4 Ge8 Mo6]'
_cell_volume [316.3172]
_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
[
  Tm  Tm0  4  0.3096  0.6714  0.4440  1
  Ge  Ge1  4  0.0018  0.1369  0.8667  1
  Ge  Ge2  4  0.4095  0.0445  0.6429  1
  Mo  Mo3  4  0.2527  0.1595  0.2525  1
  Mo  Mo4  2  0.0000  0.0000  0.5000  1
]