data_MnTlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlSi2
_chemical_formula_sum   'Mn1 Tl1 Si2'
_cell_volume   69.61
_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  0.21  1.0
  Tl  Tl3  1  0.13  0.0  0.43  1.0
  Si  Si1  1  0.13  0.0  0.27  1.0
  Si  Si2  1  0.0  0.0  0.27  1.0

data_MnTlSi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnTlSi2
_chemical_formula_sum   'Mn1 Tl1 Si2'
_cell_volume   69.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.21  1.0
  Tl  Tl1  1  0.13  0.0  0.43  1.0
  Si  Si2  1  0.0  0.0  0.27  1.0
  Si  Si3  1  0.13  0.0  0.27  1.0

Mn Tl Si Si
Mn Tl Si Si 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 