data_[Mg2Te2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4792]
_cell_length_b [3.4011]
_cell_length_c [6.7250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgTeBr2]
_chemical_formula_sum '[Mg2 Te2 Br4]'
_cell_volume [292.2301]
_cell_formula_units_Z [2]
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  2  0.0358  0.5000  0.4043  1
  Te  Te1  2  0.3316  0.5000  0.3613  1
  Br  Br2  2  0.1542  0.0000  0.6491  1
  Br  Br3  2  0.4784  0.5000  0.0853  1
]