data_TaCo2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.36
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Si
_chemical_formula_sum   'Ta1 Co2 Si1'
_cell_volume   50.1
_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  0.95  0.0  0.75  1.0
  Co  Co0  1  0.27  0.68  0.25  1.0
  Co  Co1  1  0.34  0.68  0.25  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   2.71
_cell_length_b   3.36
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Si
_chemical_formula_sum   'Ta1 Co2 Si1'
_cell_volume   50.1
_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  0.95  0.0  0.75  1.0
  Co  Co1  1  0.27  0.68  0.25  1.0
  Co  Co2  1  0.34  0.68  0.25  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Co Co Si