data_MnTlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlP
_chemical_formula_sum   'Mn1 Tl1 P1'
_cell_volume   49.3
_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  1.0  0.29  0.37  1.0
  Tl  Tl2  1  0.98  0.14  0.36  1.0
  P  P1  1  0.0  0.0  0.89  1.0

data_MnTlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.96
_cell_length_c   3.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlP
_chemical_formula_sum   'Mn1 Tl1 P1'
_cell_volume   49.3
_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  0.37  1.0  0.29  1.0
  Tl  Tl1  1  0.36  0.98  0.14  1.0
  P  P2  1  0.89  0.0  0.0  1.0

Mn Tl P