[CIF]
data_BaNbSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36863336
_cell_length_b   3.36863336
_cell_length_c   7.91390191
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbSi2
_chemical_formula_sum   'Ba1 Nb1 Si2'
_cell_volume   89.80451119
_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  1.68431668  1.68431668  3.75246475  1
  Nb  Nb1  1  0.00000000  0.00000000  6.74841042  1
  Si  Si2  1  1.68431668  1.68431668  0.02340711  1
  Si  Si3  1  0.00000000  0.00000000  1.34657067  1
[/CIF]
