# generated using pymatgen
data_BaYMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85624608
_cell_length_b   6.85624608
_cell_length_c   5.45287800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.93425509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMg6
_chemical_formula_sum   'Ba1 Y1 Mg6'
_cell_volume   226.46344307
_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  0.15627200  0.84372800  0.00000000  1.0
  Y  Y1  1  0.34784800  0.65215200  0.50000000  1.0
  Mg  Mg2  1  0.82433900  0.65790500  0.50000000  1.0
  Mg  Mg3  1  0.34209500  0.17566100  0.50000000  1.0
  Mg  Mg4  1  0.83908000  0.16092000  0.50000000  1.0
  Mg  Mg5  1  0.65443400  0.82849700  0.00000000  1.0
  Mg  Mg6  1  0.17150300  0.34556600  0.00000000  1.0
  Mg  Mg7  1  0.66442800  0.33557200  0.00000000  1.0