data_NaTa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   133.94
_cell_angle_beta   133.94
_cell_angle_gamma   67.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Si
_chemical_formula_sum   'Na1 Ta2 Si1'
_cell_volume   69.08
_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  Ta2  1  0.0  0.0  0.28  1.0
  Ta  Ta3  1  0.0  0.01  0.14  1.0
  Si  Si1  1  0.01  0.0  0.14  1.0

data_NaTa2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   123.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTa2Si
_chemical_formula_sum   'Na2 Ta4 Si2'
_cell_volume   138.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.22  0.5  0.72  1.0
  Ta  Ta2  2  0.37  0.5  0.87  1.0
  Si  Si3  2  0.37  0.5  0.87  1.0

Na Ta Ta Si