data_Mg2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   128.06
_cell_angle_beta   128.06
_cell_angle_gamma   76.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlP
_chemical_formula_sum   'Mg2 Tl1 P1'
_cell_volume   83.99
_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  0.27  0.04  1.0
  Mg  Mg1  1  0.27  0.0  0.04  1.0
  Tl  Tl3  1  0.0  0.0  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Mg2TlP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   128.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2TlP
_chemical_formula_sum   'Mg4 Tl2 P2'
_cell_volume   167.98
_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
  Mg  Mg0  4  0.1  0.14  0.24  1.0
  Tl  Tl1  2  0.43  0.5  0.93  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Mg Mg Tl P
Mg Mg Tl P 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Mg2TlP is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2TlP clusters. Mg(1) is bonded in a single-bond geometry to one P(1) atom. The Mg(1)-P(1) bond length is 1.30 Å. Tl(1) is bonded in a single-bond geometry to one P(1) atom. The Tl(1)-P(1) bond length is 0.37 Å. P(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Tl(1) atom.