# generated using pymatgen
data_BaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14940840
_cell_length_b   5.07420473
_cell_length_c   6.57216016
_cell_angle_alpha   112.70817851
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi
_chemical_formula_sum   'Ba2 Si2'
_cell_volume   127.64995758
_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
  Ba  Ba0  1  0.25000000  0.85989274  0.71978549  1.0
  Ba  Ba1  1  0.75000000  0.14010726  0.28021451  1.0
  Si  Si2  1  0.25000000  0.55714273  0.11428547  1.0
  Si  Si3  1  0.75000000  0.44285727  0.88571453  1.0