data_MgTlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   142.27
_cell_angle_beta   135.72
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlAg
_chemical_formula_sum   'Mg1 Tl1 Ag1'
_cell_volume   65.91
_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  Mg1  1  0.0  0.0  0.15  1.0
  Tl  Tl2  1  0.0  0.0  0.13  1.0
  Ag  Ag0  1  0.0  0.0  0.06  1.0

data_MgTlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.06
_cell_length_c   5.38
_cell_angle_alpha   112.14
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlAg
_chemical_formula_sum   'Mg1 Tl1 Ag1'
_cell_volume   65.91
_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  0.85  0.85  0.85  1.0
  Tl  Tl1  1  0.87  0.87  0.87  1.0
  Ag  Ag2  1  0.94  0.94  0.94  1.0

Mg Tl Ag
Mg Tl Ag 0 1 o o o 1 2 o o o 