data_LiMg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   3.94
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Te
_chemical_formula_sum   'Li1 Mg2 Te1'
_cell_volume   102.35
_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  0.39  0.0  0.02  1.0
  Mg  Mg1  1  0.11  0.97  0.31  1.0
  Mg  Mg2  1  0.16  0.0  0.88  1.0
  Te  Te3  1  0.36  0.97  0.75  1.0

data_LiMg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.07
_cell_length_c   6.7
_cell_angle_alpha   107.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Te
_chemical_formula_sum   'Li1 Mg2 Te1'
_cell_volume   102.35
_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  0.0  0.61  0.98  1.0
  Mg  Mg1  1  0.0  0.84  0.12  1.0
  Mg  Mg2  1  0.03  0.89  0.69  1.0
  Te  Te3  1  0.03  0.64  0.25  1.0

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