data_ZrMn2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   135.69
_cell_angle_beta   134.19
_cell_angle_gamma   65.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Tl
_chemical_formula_sum   'Zr1 Mn2 Tl1'
_cell_volume   73.25
_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  Zr3  1  0.0  0.0  0.23  1.0
  Mn  Mn0  1  0.0  0.06  0.06  1.0
  Mn  Mn1  1  0.0  0.0  0.64  1.0
  Tl  Tl2  1  0.0  0.06  0.42  1.0

data_ZrMn2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.12
_cell_length_c   5.29
_cell_angle_alpha   112.91
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Tl
_chemical_formula_sum   'Zr1 Mn2 Tl1'
_cell_volume   73.25
_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  Zr0  1  0.77  0.77  0.77  1.0
  Mn  Mn1  1  0.36  0.36  0.36  1.0
  Mn  Mn2  1  0.94  0.0  0.0  1.0
  Tl  Tl3  1  0.58  0.64  0.64  1.0

Zr Mn Mn Tl