data_BaMnTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   7.0
_cell_angle_alpha   110.36
_cell_angle_beta   110.36
_cell_angle_gamma   57.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnTl2
_chemical_formula_sum   'Ba1 Mn1 Tl2'
_cell_volume   128.44
_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
  Ba  Ba0  1  0.95  0.0  0.32  1.0
  Mn  Mn1  1  0.02  0.0  0.11  1.0
  Tl  Tl2  1  0.76  0.0  0.64  1.0
  Tl  Tl3  1  0.68  0.0  0.98  1.0

data_BaMnTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.87
_cell_length_c   7.0
_cell_angle_alpha   69.63
_cell_angle_beta   70.45
_cell_angle_gamma   61.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnTl2
_chemical_formula_sum   'Ba1 Mn1 Tl2'
_cell_volume   128.44
_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
  Ba  Ba0  1  0.0  0.63  0.32  1.0
  Mn  Mn1  1  0.0  0.91  0.11  1.0
  Tl  Tl2  1  0.0  0.11  0.64  1.0
  Tl  Tl3  1  0.0  0.71  0.98  1.0

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