data_MgSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   3.31
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnTe2
_chemical_formula_sum   'Mg1 Sn1 Te2'
_cell_volume   109.91
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.3  0.0  0.0  1.0
  Te  Te2  1  0.07  0.31  0.55  1.0
  Te  Te3  1  0.07  0.69  0.55  1.0

data_MgSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.26
_cell_length_c   6.31
_cell_angle_alpha   117.07
_cell_angle_beta   100.69
_cell_angle_gamma   98.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnTe2
_chemical_formula_sum   'Mg1 Sn1 Te2'
_cell_volume   109.91
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.3  1.0
  Te  Te2  1  0.23  0.69  0.75  1.0
  Te  Te3  1  0.86  0.31  0.38  1.0

Mg Sn Te Te