data_MgSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46
_cell_length_b   9.46
_cell_length_c   9.46
_cell_angle_alpha   19.43
_cell_angle_beta   19.43
_cell_angle_gamma   19.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Te
_chemical_formula_sum   'Mg1 Si2 Te1'
_cell_volume   81.94
_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
  Si  Si1  1  0.0  0.0  0.11  1.0
  Si  Si2  1  0.0  0.0  0.73  1.0
  Te  Te3  1  0.0  0.0  0.92  1.0

data_MgSi2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   101.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSi2Te
_chemical_formula_sum   'Mg2 Si4 Te2'
_cell_volume   163.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Si  Si1  2  -0.0  0.0  0.89  1.0
  Si  Si2  2  0.0  0.0  0.27  1.0
  Te  Te3  2  0.0  0.0  0.08  1.0

Mg Si Si Te