data_MnTl2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Se
_chemical_formula_sum   'Mn1 Tl2 Se1'
_cell_volume   97.01
_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
  Tl  Tl2  1  0.37  0.0  0.49  1.0
  Tl  Tl3  1  0.37  0.0  0.82  1.0
  Se  Se1  1  0.0  0.0  0.65  1.0

data_MnTl2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Se
_chemical_formula_sum   'Mn1 Tl2 Se1'
_cell_volume   97.01
_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
  Tl  Tl1  1  0.37  0.0  0.49  1.0
  Tl  Tl2  1  0.37  0.0  0.82  1.0
  Se  Se3  1  0.0  0.0  0.65  1.0

Mn Tl Tl Se
Mn Tl Tl Se 0 2 o o - 1 3 o o o 2 3 o o o 