data_Zr2MnTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   21.07
_cell_angle_beta   21.07
_cell_angle_gamma   21.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnTl
_chemical_formula_sum   'Zr2 Mn1 Tl1'
_cell_volume   83.08
_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
  Zr  Zr2  1  0.0  0.0  0.44  1.0
  Zr  Zr3  1  0.0  0.0  0.01  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.23  1.0

data_Zr2MnTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2MnTl
_chemical_formula_sum   'Zr4 Mn2 Tl2'
_cell_volume   166.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.56  1.0
  Zr  Zr1  2  0.0  0.0  0.99  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Tl  Tl3  2  0.0  0.0  0.77  1.0

Zr Zr Mn Tl
Zr Zr Mn Tl 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 