data_TlNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   150.98
_cell_angle_beta   150.98
_cell_angle_gamma   41.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiSn
_chemical_formula_sum   'Tl1 Ni1 Sn1'
_cell_volume   64.78
_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
  Tl  Tl2  1  0.0  0.0  0.34  1.0
  Ni  Ni0  1  0.0  0.0  0.19  1.0
  Sn  Sn1  1  0.0  0.0  0.65  1.0

data_TlNiSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   110.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlNiSn
_chemical_formula_sum   'Tl2 Ni2 Sn2'
_cell_volume   129.55
_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
  Tl  Tl0  2  0.0  0.0  0.66  1.0
  Ni  Ni1  2  0.0  0.0  0.81  1.0
  Sn  Sn2  2  0.0  0.0  0.35  1.0

Tl Ni Sn