data_[Mg2Cu4Si2Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2774]
_cell_length_b [8.2333]
_cell_length_c [6.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCu2SiTeSe3]
_chemical_formula_sum '[Mg2 Cu4 Si2 Te2 Se6]'
_cell_volume [380.5000]
_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  0.0033  0.0000  0.9798  1
  Cu  Cu1  4  0.0073  0.2630  0.5130  1
  Si  Si2  2  0.4873  0.0000  0.9944  1
  Te  Te3  2  0.3660  0.5000  0.2665  1
  Se  Se4  4  0.3683  0.2266  0.7404  1
  Se  Se5  2  0.3922  0.0000  0.2523  1
]