data_TaCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.8
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoSi2
_chemical_formula_sum   'Ta1 Co1 Si2'
_cell_volume   55.19
_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  0.42  0.0  0.55  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.9  0.24  1.0
  Si  Si2  1  0.0  0.9  0.86  1.0

data_TaCoSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.8
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoSi2
_chemical_formula_sum   'Ta1 Co1 Si2'
_cell_volume   55.19
_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  0.42  0.0  0.55  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.9  0.24  1.0
  Si  Si3  1  0.0  0.9  0.86  1.0

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