data_[Mg2V1Te2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.7375]
_cell_length_b [3.7375]
_cell_length_c [9.2386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Mg2VTe2F2]
_chemical_formula_sum '[Mg2 V1 Te2 F2]'
_cell_volume [129.0534]
_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  2  0.0000  0.5000  0.6200  1
  V  V1  1  0.0000  0.0000  0.0000  1
  Te  Te2  2  0.0000  0.5000  0.2014  1
  F  F3  1  0.0000  0.0000  0.5000  1
  F  F4  1  0.5000  0.5000  0.5000  1
]