data_TaCo2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.27
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Si
_chemical_formula_sum   'Ta1 Co2 Si1'
_cell_volume   51.76
_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  Ta3  1  0.0  0.0  0.97  1.0
  Co  Co0  1  0.33  0.63  0.71  1.0
  Co  Co1  1  0.33  0.63  0.24  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TaCo2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.27
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Si
_chemical_formula_sum   'Ta1 Co2 Si1'
_cell_volume   51.76
_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  0.0  0.0  0.97  1.0
  Co  Co1  1  0.33  0.63  0.24  1.0
  Co  Co2  1  0.33  0.63  0.71  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Co Co Si
Ta Co Co Si 0 3 o o + 0 1 o o o 0 1 o - o 0 1 - - o 0 2 o - + 0 2 - - + 1 3 o o + 1 3 o + + 1 3 + + + 1 1 + o o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + + o 2 2 + o o 