data_MgTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   136.43
_cell_angle_beta   110.91
_cell_angle_gamma   85.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlTe2
_chemical_formula_sum   'Mg1 Tl1 Te2'
_cell_volume   128.39
_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  Tl3  1  0.0  0.0  0.35  1.0
  Te  Te1  1  0.0  0.36  0.53  1.0
  Te  Te2  1  0.2  0.0  0.82  1.0

data_MgTlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   69.09
_cell_angle_beta   68.21
_cell_angle_gamma   68.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlTe2
_chemical_formula_sum   'Mg1 Tl1 Te2'
_cell_volume   128.39
_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  -0.0  0.35  1.0
  Te  Te2  1  0.0  0.8  0.82  1.0
  Te  Te3  1  0.36  0.0  0.18  1.0

Mg Tl Te Te