data_TlGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   145.5
_cell_angle_beta   131.61
_cell_angle_gamma   60.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaFe2
_chemical_formula_sum   'Tl1 Ga1 Fe2'
_cell_volume   64.4
_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
  Tl  Tl3  1  0.0  0.19  0.41  1.0
  Ga  Ga2  1  0.0  0.0  0.45  1.0
  Fe  Fe0  1  0.0  0.0  0.27  1.0
  Fe  Fe1  1  0.59  0.0  0.1  1.0

data_TlGaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.39
_cell_length_c   5.36
_cell_angle_alpha   114.19
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaFe2
_chemical_formula_sum   'Tl1 Ga1 Fe2'
_cell_volume   64.4
_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
  Tl  Tl0  1  0.81  0.22  0.22  1.0
  Ga  Ga1  1  0.0  0.45  0.45  1.0
  Fe  Fe2  1  0.0  0.1  0.51  1.0
  Fe  Fe3  1  0.0  0.27  0.27  1.0

Tl Ga Fe Fe