data_YMnTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnTl2
_chemical_formula_sum   'Y1 Mn1 Tl2'
_cell_volume   101.68
_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
  Y  Y3  1  0.86  0.86  0.87  1.0
  Mn  Mn0  1  0.0  0.0  0.55  1.0
  Tl  Tl1  1  0.86  0.86  0.2  1.0
  Tl  Tl2  1  0.0  0.0  0.81  1.0

data_YMnTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMnTl2
_chemical_formula_sum   'Y2 Mn2 Tl4'
_cell_volume   203.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.36  0.5  0.87  1.0
  Mn  Mn1  2  0.0  0.0  0.55  1.0
  Tl  Tl2  2  0.0  0.0  0.81  1.0
  Tl  Tl3  2  0.36  0.5  0.2  1.0

Y Mn Tl Tl
Y Mn Tl Tl 0 3 + + o 0 2 o o + 1 3 o o o 1 2 - - o 2 3 + + - 