data_MnTl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   3.35
_cell_angle_alpha   98.38
_cell_angle_beta   98.38
_cell_angle_gamma   23.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   94.21
_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  0.09  0.0  0.65  1.0
  Tl  Tl2  1  0.03  0.0  0.6  1.0
  Tl  Tl3  1  0.15  0.0  0.71  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   3.35
_cell_length_b   3.41
_cell_length_c   8.51
_cell_angle_alpha   101.57
_cell_angle_beta   98.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   94.21
_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  0.35  0.0  0.91  1.0
  Tl  Tl1  1  0.29  0.0  0.85  1.0
  Tl  Tl2  1  0.4  0.0  0.97  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mn Tl Tl P
Mn Tl Tl P 0 1 o o o 0 2 o o o 0 3 o o + 1 3 o o + 