data_MgTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeBr2
_chemical_formula_sum   'Mg1 Te1 Br2'
_cell_volume   152.92
_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  Mg2  1  0.0  0.0  0.72  1.0
  Te  Te3  1  0.93  0.0  0.57  1.0
  Br  Br0  1  0.0  0.0  0.45  1.0
  Br  Br1  1  0.93  0.0  0.37  1.0

data_MgTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.63
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeBr2
_chemical_formula_sum   'Mg1 Te1 Br2'
_cell_volume   152.92
_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  0.72  1.0
  Te  Te1  1  0.0  0.93  0.57  1.0
  Br  Br2  1  0.0  0.0  0.45  1.0
  Br  Br3  1  0.0  0.93  0.37  1.0

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