data_NaTaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.21
_cell_angle_alpha   99.25
_cell_angle_beta   99.25
_cell_angle_gamma   37.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSi2
_chemical_formula_sum   'Na1 Ta1 Si2'
_cell_volume   80.35
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.9  0.0  0.06  1.0
  Si  Si1  1  0.42  0.0  0.06  1.0
  Si  Si2  1  0.38  0.0  0.06  1.0

data_NaTaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.67
_cell_length_c   6.21
_cell_angle_alpha   99.25
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSi2
_chemical_formula_sum   'Na1 Ta1 Si2'
_cell_volume   80.35
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.1  0.94  1.0
  Si  Si2  1  0.0  0.58  0.94  1.0
  Si  Si3  1  0.0  0.62  0.94  1.0

Na Ta Si Si
Na Ta Si Si 0 1 - o o 2 3 o o o 