data_BaGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   139.28
_cell_angle_beta   110.99
_cell_angle_gamma   83.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaSi2
_chemical_formula_sum   'Ba1 Ga1 Si2'
_cell_volume   105.47
_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  0.96  0.0  0.12  1.0
  Ga  Ga1  1  0.0  0.0  0.88  1.0
  Si  Si2  1  0.96  0.0  0.14  1.0
  Si  Si3  1  0.0  0.0  0.48  1.0

data_BaGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   69.01
_cell_angle_beta   69.64
_cell_angle_gamma   69.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaSi2
_chemical_formula_sum   'Ba1 Ga1 Si2'
_cell_volume   105.47
_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  0.0  0.04  0.12  1.0
  Ga  Ga1  1  0.0  0.0  0.88  1.0
  Si  Si2  1  0.0  -0.0  0.48  1.0
  Si  Si3  1  0.0  0.04  0.14  1.0

Ba Ga Si Si