# generated using pymatgen
data_Al3SiMo12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96983600
_cell_length_b   4.96866200
_cell_length_c   9.92439600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3SiMo12
_chemical_formula_sum   'Al3 Si1 Mo12'
_cell_volume   245.06743031
_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
  Al  Al0  1  0.50000000  0.50000000  0.25000800  1.0
  Al  Al1  1  0.50000000  0.50000000  0.74999200  1.0
  Al  Al2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.00000000  0.00000000  0.50000000  1.0
  Mo  Mo4  1  0.00000000  0.50000000  0.37590500  1.0
  Mo  Mo5  1  0.00000000  0.50000000  0.87492800  1.0
  Mo  Mo6  1  0.50000000  0.24987100  0.00000000  1.0
  Mo  Mo7  1  0.50000000  0.24795100  0.50000000  1.0
  Mo  Mo8  1  0.75057000  0.00000000  0.25096300  1.0
  Mo  Mo9  1  0.75057000  0.00000000  0.74903700  1.0
  Mo  Mo10  1  0.00000000  0.50000000  0.12507200  1.0
  Mo  Mo11  1  0.00000000  0.50000000  0.62409500  1.0
  Mo  Mo12  1  0.50000000  0.75012900  0.00000000  1.0
  Mo  Mo13  1  0.50000000  0.75204900  0.50000000  1.0
  Mo  Mo14  1  0.24943000  0.00000000  0.25096300  1.0
  Mo  Mo15  1  0.24943000  0.00000000  0.74903700  1.0