data_MgTlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   36.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlNi2
_chemical_formula_sum   'Mg1 Tl1 Ni2'
_cell_volume   65.24
_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
  Mg  Mg0  1  0.0  0.0  0.17  1.0
  Tl  Tl3  1  0.04  0.0  0.2  1.0
  Ni  Ni1  1  0.04  0.0  0.87  1.0
  Ni  Ni2  1  0.0  0.0  0.2  1.0

data_MgTlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.08
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlNi2
_chemical_formula_sum   'Mg1 Tl1 Ni2'
_cell_volume   65.24
_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
  Mg  Mg0  1  0.83  0.0  0.83  1.0
  Tl  Tl1  1  0.8  0.04  0.8  1.0
  Ni  Ni2  1  0.13  0.04  0.13  1.0
  Ni  Ni3  1  0.8  0.0  0.8  1.0

Mg Tl Ni Ni