data_Mn3Tl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.4
_cell_length_b   14.4
_cell_length_c   14.4
_cell_angle_alpha   166.74
_cell_angle_beta   166.74
_cell_angle_gamma   18.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Tl4
_chemical_formula_sum   'Mn3 Tl4'
_cell_volume   157.09
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.6  1.0
  Mn  Mn2  1  0.0  0.0  0.82  1.0
  Tl  Tl3  1  0.0  0.0  0.86  1.0
  Tl  Tl4  1  0.0  0.0  0.55  1.0
  Tl  Tl5  1  0.0  0.0  0.09  1.0
  Tl  Tl6  1  0.0  0.0  0.32  1.0

data_Mn3Tl4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   14.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn3Tl4
_chemical_formula_sum   'Mn6 Tl8'
_cell_volume   314.18
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.1  0.5  0.6  1.0
  Mn  Mn2  2  0.32  0.5  0.82  1.0
  Tl  Tl3  2  0.05  0.5  0.55  1.0
  Tl  Tl4  2  0.09  0.0  0.09  1.0
  Tl  Tl5  2  0.32  0.0  0.32  1.0
  Tl  Tl6  2  0.36  0.5  0.86  1.0

Mn Mn Mn Tl Tl Tl Tl