# generated using pymatgen
data_Zr3ScMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.30926079
_cell_length_b   9.30926116
_cell_length_c   9.30926172
_cell_angle_alpha   33.49273920
_cell_angle_beta   33.49273372
_cell_angle_gamma   33.49274197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3ScMo8
_chemical_formula_sum   'Zr3 Sc1 Mo8'
_cell_volume   218.80394930
_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
  Zr  Zr0  1  0.62490898  0.62490898  0.62490898  1.0
  Zr  Zr1  1  0.00008335  0.00008335  0.00008335  1.0
  Zr  Zr2  1  0.49991368  0.49991368  0.49991368  1.0
  Sc  Sc3  1  0.12514966  0.12514966  0.12514966  1.0
  Mo  Mo4  1  0.56262816  0.06251214  0.56262816  1.0
  Mo  Mo5  1  0.06251897  0.56220378  0.06251897  1.0
  Mo  Mo6  1  0.06251214  0.56262816  0.56262816  1.0
  Mo  Mo7  1  0.56220378  0.06251897  0.06251897  1.0
  Mo  Mo8  1  0.81252835  0.81252835  0.81252835  1.0
  Mo  Mo9  1  0.31240581  0.31240581  0.31240581  1.0
  Mo  Mo10  1  0.56262816  0.56262816  0.06251214  1.0
  Mo  Mo11  1  0.06251897  0.06251897  0.56220378  1.0