data_BaMn2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.65
_cell_angle_alpha   109.03
_cell_angle_beta   109.03
_cell_angle_gamma   55.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Tl
_chemical_formula_sum   'Ba1 Mn2 Tl1'
_cell_volume   114.38
_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  0.66  0.0  0.44  1.0
  Mn  Mn1  1  0.91  0.0  0.17  1.0
  Mn  Mn2  1  0.23  0.0  0.91  1.0
  Tl  Tl3  1  0.01  0.0  0.94  1.0

data_BaMn2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.74
_cell_length_c   6.65
_cell_angle_alpha   109.03
_cell_angle_beta   90.0
_cell_angle_gamma   117.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Tl
_chemical_formula_sum   'Ba1 Mn2 Tl1'
_cell_volume   114.38
_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  0.34  0.56  1.0
  Mn  Mn1  1  0.0  0.09  0.83  1.0
  Mn  Mn2  1  0.0  0.77  0.09  1.0
  Tl  Tl3  1  0.0  0.99  0.06  1.0

Ba Mn Mn Tl