data_MnTl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   131.23
_cell_angle_beta   131.23
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   88.74
_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
  Mn  Mn0  1  0.0  0.24  0.2  1.0
  Tl  Tl2  1  0.24  0.0  0.2  1.0
  Tl  Tl3  1  0.0  0.0  0.41  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_MnTl2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.43
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   88.74
_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
  Mn  Mn0  1  0.04  0.24  0.04  1.0
  Tl  Tl1  1  0.59  0.0  0.59  1.0
  Tl  Tl2  1  0.8  0.0  0.04  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mn Tl Tl P
MnTl2P crystallizes in the triclinic P1 space group. Mn(1) is bonded in a single-bond geometry to two equivalent Tl(2) and one P(1) atom. There is one shorter (2.22 Å) and one longer (3.48 Å) Mn(1)-Tl(2) bond length. The Mn(1)-P(1) bond length is 1.02 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to two equivalent Tl(2) and one P(1) atom. There is one shorter (2.22 Å) and one longer (3.48 Å) Tl(1)-Tl(2) bond length. The Tl(1)-P(1) bond length is 1.02 Å. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Tl(1), and two equivalent P(1) atoms. There is one shorter (2.23 Å) and one longer (3.21 Å) Tl(2)-P(1) bond length. P(1) is bonded in a water-like geometry to one Mn(1), one Tl(1), and two equivalent Tl(2) atoms.