# generated using pymatgen
data_BaMg6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77814300
_cell_length_b   6.77814300
_cell_length_c   4.29516700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg6Mo
_chemical_formula_sum   'Ba1 Mg6 Mo1'
_cell_volume   197.33381328
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg2  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.71014600  0.28985400  0.00000000  1.0
  Mg  Mg4  1  0.28985400  0.71014600  0.00000000  1.0
  Mg  Mg5  1  0.71014600  0.71014600  0.00000000  1.0
  Mg  Mg6  1  0.28985400  0.28985400  0.00000000  1.0
  Mo  Mo7  1  0.50000000  0.50000000  0.50000000  1.0