data_MgTlCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.89
_cell_angle_alpha   102.16
_cell_angle_beta   102.16
_cell_angle_gamma   40.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlCu2
_chemical_formula_sum   'Mg1 Tl1 Cu2'
_cell_volume   70.08
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.94  0.0  0.38  1.0
  Cu  Cu0  1  0.45  0.0  0.75  1.0
  Cu  Cu1  1  0.44  0.0  0.01  1.0

data_MgTlCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.78
_cell_length_c   4.89
_cell_angle_alpha   102.16
_cell_angle_beta   90.0
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlCu2
_chemical_formula_sum   'Mg1 Tl1 Cu2'
_cell_volume   70.08
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.06  0.62  1.0
  Cu  Cu2  1  0.0  0.55  0.25  1.0
  Cu  Cu3  1  0.0  0.56  0.99  1.0

Mg Tl Cu Cu