data_MgTlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.03
_cell_angle_alpha   94.49
_cell_angle_beta   94.49
_cell_angle_gamma   37.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlP2
_chemical_formula_sum   'Mg1 Tl1 P2'
_cell_volume   94.07
_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  0.0  1.0
  Tl  Tl3  1  0.53  0.0  0.01  1.0
  P  P1  1  0.99  0.0  0.77  1.0
  P  P2  1  0.08  0.0  0.24  1.0

data_MgTlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.05
_cell_length_c   6.03
_cell_angle_alpha   94.49
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlP2
_chemical_formula_sum   'Mg1 Tl1 P2'
_cell_volume   94.07
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.47  0.99  1.0
  P  P2  1  0.0  0.01  0.23  1.0
  P  P3  1  0.0  0.92  0.76  1.0

Mg Tl P P
MgTlP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTlP2 cluster. Mg(1) is bonded in a distorted linear geometry to one Tl(1), one P(1), and one P(2) atom. The Mg(1)-Tl(1) bond length is 2.37 Å. The Mg(1)-P(1) bond length is 1.39 Å. The Mg(1)-P(2) bond length is 1.50 Å. Tl(1) is bonded in a 1-coordinate geometry to one Mg(1) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second P site, P(2) is bonded in a single-bond geometry to one Mg(1) atom.