data_TiVSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVSn
_chemical_formula_sum   'Ti1 V1 Sn1'
_cell_volume   52.29
_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  Ti1  1  0.0  0.0  0.12  1.0
  V  V2  1  0.0  0.62  0.87  1.0
  Sn  Sn0  1  0.27  0.31  0.87  1.0

data_TiVSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVSn
_chemical_formula_sum   'Ti1 V1 Sn1'
_cell_volume   52.29
_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  Ti0  1  0.12  0.0  0.0  1.0
  V  V1  1  0.87  0.0  0.62  1.0
  Sn  Sn2  1  0.87  0.27  0.31  1.0

Ti V Sn
Ti V Sn 0 2 o o - 0 1 o - - 1 2 o o o 