data_MgTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Cl
_chemical_formula_sum   'Mg1 Te2 Cl1'
_cell_volume   109.96
_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  Mg1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.41  0.66  0.83  1.0
  Te  Te3  1  0.41  0.34  0.83  1.0
  Cl  Cl0  1  0.82  0.0  0.0  1.0

data_MgTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.63
_cell_length_c   6.03
_cell_angle_alpha   117.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Cl
_chemical_formula_sum   'Mg1 Te2 Cl1'
_cell_volume   109.96
_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
  Te  Te1  1  0.83  0.34  0.74  1.0
  Te  Te2  1  0.83  0.66  0.07  1.0
  Cl  Cl3  1  0.0  0.0  0.82  1.0

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