data_Mn2TlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.24
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlFe
_chemical_formula_sum   'Mn2 Tl1 Fe1'
_cell_volume   62.82
_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  Mn1  1  0.02  0.12  0.21  1.0
  Mn  Mn2  1  0.91  0.0  0.1  1.0
  Tl  Tl3  1  0.8  0.12  0.66  1.0
  Fe  Fe0  1  0.69  0.0  0.1  1.0

data_Mn2TlFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.24
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlFe
_chemical_formula_sum   'Mn2 Tl1 Fe1'
_cell_volume   62.82
_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  0.02  0.12  0.21  1.0
  Mn  Mn1  1  0.91  0.0  0.1  1.0
  Tl  Tl2  1  0.8  0.12  0.66  1.0
  Fe  Fe3  1  0.69  0.0  0.1  1.0

Mn Mn Tl Fe