data_Mn2TlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   154.13
_cell_angle_beta   151.11
_cell_angle_gamma   39.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlP
_chemical_formula_sum   'Mn2 Tl1 P1'
_cell_volume   58.58
_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  0.18  1.0
  Mn  Mn1  1  0.46  0.0  0.01  1.0
  Tl  Tl3  1  0.0  0.63  0.72  1.0
  P  P2  1  0.0  0.0  0.7  1.0

data_Mn2TlP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.26
_cell_length_c   6.53
_cell_angle_alpha   104.44
_cell_angle_beta   102.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlP
_chemical_formula_sum   'Mn2 Tl1 P1'
_cell_volume   58.58
_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  0.45  0.99  0.45  1.0
  Mn  Mn1  1  0.82  0.82  0.82  1.0
  Tl  Tl2  1  0.28  0.91  0.91  1.0
  P  P3  1  0.3  0.3  0.3  1.0

Mn Mn Tl P