data_MnTlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   152.63
_cell_angle_beta   136.69
_cell_angle_gamma   52.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlCd2
_chemical_formula_sum   'Mn1 Tl1 Cd2'
_cell_volume   88.46
_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  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.89  1.0
  Cd  Cd0  1  0.55  0.0  0.42  1.0
  Cd  Cd1  1  0.0  0.42  0.47  1.0

data_MnTlCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.84
_cell_length_c   6.56
_cell_angle_alpha   111.65
_cell_angle_beta   103.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlCd2
_chemical_formula_sum   'Mn1 Tl1 Cd2'
_cell_volume   88.46
_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  0.0  0.89  0.89  1.0
  Cd  Cd2  1  0.0  0.42  0.87  1.0
  Cd  Cd3  1  0.58  0.05  0.05  1.0

Mn Tl Cd Cd
Mn Tl Cd Cd 0 1 o o - 0 2 o o o 0 2 - o - 0 3 o - - 0 3 o o o 1 2 o o + 1 2 - o o 2 3 o - - 2 3 o o o 