data_MnTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   151.85
_cell_angle_beta   135.23
_cell_angle_gamma   53.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2W
_chemical_formula_sum   'Mn1 Tl2 W1'
_cell_volume   83.9
_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  0.32  1.0
  Tl  Tl1  1  0.54  0.0  0.27  1.0
  Tl  Tl2  1  0.0  0.0  0.36  1.0
  W  W3  1  0.54  0.0  0.0  1.0

data_MnTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.82
_cell_length_c   6.33
_cell_angle_alpha   112.38
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2W
_chemical_formula_sum   'Mn1 Tl2 W1'
_cell_volume   83.9
_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  0.32  0.32  1.0
  Tl  Tl1  1  0.0  0.27  0.73  1.0
  Tl  Tl2  1  0.0  0.36  0.36  1.0
  W  W3  1  0.0  0.0  0.46  1.0

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