data_Tl2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoSe
_chemical_formula_sum   'Tl2 Mo1 Se1'
_cell_volume   89.22
_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
  Tl  Tl2  1  0.8  0.0  0.75  1.0
  Tl  Tl3  1  0.8  0.0  0.48  1.0
  Mo  Mo0  1  0.0  0.0  0.11  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Tl2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoSe
_chemical_formula_sum   'Tl2 Mo1 Se1'
_cell_volume   89.22
_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
  Tl  Tl0  1  0.8  0.0  0.48  1.0
  Tl  Tl1  1  0.8  0.0  0.75  1.0
  Mo  Mo2  1  0.0  0.0  0.11  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tl Tl Mo Se
Tl Tl Mo Se 0 0 o + o 0 0 + o o 0 1 o o o 0 3 + o + 1 1 o + o 1 1 + o o 2 3 o o o 