data_Ta2SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.58
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiCl
_chemical_formula_sum   'Ta2 Si1 Cl1'
_cell_volume   66.3
_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
  Ta  Ta2  1  0.33  0.29  0.82  1.0
  Ta  Ta3  1  0.31  0.0  0.52  1.0
  Si  Si1  1  0.88  0.0  0.95  1.0
  Cl  Cl0  1  0.31  0.29  0.36  1.0

data_Ta2SiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.58
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiCl
_chemical_formula_sum   'Ta2 Si1 Cl1'
_cell_volume   66.3
_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
  Ta  Ta0  1  0.31  0.0  0.52  1.0
  Ta  Ta1  1  0.33  0.29  0.82  1.0
  Si  Si2  1  0.88  0.0  0.95  1.0
  Cl  Cl3  1  0.31  0.29  0.36  1.0

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