data_LiMgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   5.98
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgTe2
_chemical_formula_sum   'Li1 Mg1 Te2'
_cell_volume   100.54
_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
  Li  Li0  1  0.43  0.0  0.81  1.0
  Mg  Mg1  1  0.99  0.99  0.13  1.0
  Te  Te2  1  0.1  0.0  0.2  1.0
  Te  Te3  1  0.28  0.99  0.77  1.0

data_LiMgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.77
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgTe2
_chemical_formula_sum   'Li1 Mg1 Te2'
_cell_volume   100.54
_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
  Li  Li0  1  0.57  0.19  0.0  1.0
  Mg  Mg1  1  0.01  0.87  0.01  1.0
  Te  Te2  1  0.72  0.23  0.01  1.0
  Te  Te3  1  0.9  0.8  0.0  1.0

Li Mg Te Te
Li Mg Te Te 0 3 o - o 1 2 + + o 