data_MgTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   131.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe5
_chemical_formula_sum   'Mg1 Te5'
_cell_volume   173.67
_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
  Te  Te1  1  0.6  0.24  0.87  1.0
  Te  Te2  1  0.6  0.48  0.0  1.0
  Te  Te3  1  0.6  0.0  0.87  1.0
  Te  Te4  1  0.6  0.52  0.0  1.0
  Te  Te5  1  0.6  0.76  0.87  1.0

data_MgTe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.74
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe5
_chemical_formula_sum   'Mg1 Te5'
_cell_volume   173.67
_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
  Te  Te1  1  0.0  0.13  0.4  1.0
  Te  Te2  1  0.24  0.13  0.64  1.0
  Te  Te3  1  0.48  0.0  0.88  1.0
  Te  Te4  1  0.52  0.0  0.93  1.0
  Te  Te5  1  0.76  0.13  0.17  1.0

Mg Te Te Te Te Te
Mg Te Te Te Te Te 0 5 - - - 0 4 - - o 0 2 - - o 1 2 o o + 1 3 o o o 2 4 o o o 3 5 o - o 4 5 o o - 