data_[Mg2Te2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0053]
_cell_length_b [5.8049]
_cell_length_c [6.1610]
_cell_angle_alpha [70.8951]
_cell_angle_beta [89.2982]
_cell_angle_gamma [72.9369]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgTeF]
_chemical_formula_sum '[Mg2 Te2 F2]'
_cell_volume [128.8397]
_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  0.2869  0.9388  0.2200  1
  Te  Te1  2  0.1237  0.6066  0.6447  1
  F  F2  2  0.2667  0.9636  0.8858  1
]