data_Ti2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   19.75
_cell_angle_beta   19.75
_cell_angle_gamma   19.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSi
_chemical_formula_sum   'Ti2 Co1 Si1'
_cell_volume   57.49
_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
  Ti  Ti2  1  0.0  0.0  0.06  1.0
  Ti  Ti3  1  0.0  0.0  0.94  1.0
  Co  Co0  1  0.0  0.0  0.1  1.0
  Si  Si1  1  0.0  0.0  0.6  1.0

data_Ti2CoSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2CoSi
_chemical_formula_sum   'Ti4 Co2 Si2'
_cell_volume   114.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.0  0.0  0.06  1.0
  Ti  Ti1  2  0.0  0.0  0.94  1.0
  Co  Co2  2  0.0  0.0  0.9  1.0
  Si  Si3  2  0.0  0.0  0.4  1.0

Ti Ti Co Si