data_Mg2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   140.19
_cell_angle_beta   140.19
_cell_angle_gamma   57.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TePb
_chemical_formula_sum   'Mg2 Te1 Pb1'
_cell_volume   106.67
_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  0.18  0.81  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0
  Pb  Pb2  1  0.18  0.0  0.81  1.0

data_Mg2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.4
_cell_angle_alpha   109.91
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TePb
_chemical_formula_sum   'Mg2 Te1 Pb1'
_cell_volume   106.67
_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
  Mg  Mg1  1  0.37  0.18  0.37  1.0
  Te  Te2  1  0.39  0.0  0.39  1.0
  Pb  Pb3  1  0.19  0.0  0.37  1.0

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