data_TlSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiNi2
_chemical_formula_sum   'Tl1 Si1 Ni2'
_cell_volume   57.84
_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  Tl3  1  0.86  0.0  0.09  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.19  1.0
  Ni  Ni1  1  0.0  0.86  0.09  1.0

data_TlSiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.94
_cell_angle_alpha   112.09
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiNi2
_chemical_formula_sum   'Tl1 Si1 Ni2'
_cell_volume   57.84
_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  Tl0  1  0.09  0.23  0.23  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.19  0.19  0.19  1.0
  Ni  Ni3  1  0.23  0.09  0.23  1.0

Tl Si Ni Ni