data_TiCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   148.39
_cell_angle_beta   148.39
_cell_angle_gamma   45.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoSn
_chemical_formula_sum   'Ti1 Co1 Sn1'
_cell_volume   47.76
_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
  Ti  Ti2  1  0.0  0.0  0.64  1.0
  Co  Co0  1  0.0  0.0  0.1  1.0
  Sn  Sn1  1  0.0  0.0  0.57  1.0

data_TiCoSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCoSn
_chemical_formula_sum   'Ti2 Co2 Sn2'
_cell_volume   95.53
_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  0.14  0.5  0.64  1.0
  Co  Co1  2  0.1  0.0  0.1  1.0
  Sn  Sn2  2  0.07  0.5  0.57  1.0

Ti Co Sn