data_Ta2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoSi
_chemical_formula_sum   'Ta2 Co1 Si1'
_cell_volume   59.11
_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  0.92  0.38  1.0
  Ta  Ta3  1  0.17  0.92  0.06  1.0
  Co  Co0  1  0.83  0.0  0.72  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Ta2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoSi
_chemical_formula_sum   'Ta2 Co1 Si1'
_cell_volume   59.11
_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  0.17  0.92  0.06  1.0
  Ta  Ta1  1  0.33  0.92  0.38  1.0
  Co  Co2  1  0.83  0.0  0.72  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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