data_MnTl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   90.24
_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
  Mn  Mn0  1  0.0  0.0  0.94  1.0
  Tl  Tl2  1  0.19  0.0  0.96  1.0
  Tl  Tl3  1  0.19  0.0  0.92  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   3.41
_cell_length_b   3.41
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2P
_chemical_formula_sum   'Mn1 Tl2 P1'
_cell_volume   90.24
_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
  Mn  Mn0  1  0.0  0.0  0.94  1.0
  Tl  Tl1  1  0.19  0.0  0.92  1.0
  Tl  Tl2  1  0.19  0.0  0.96  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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