data_[Mg2Cu1Te1O6]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0793]
_cell_length_b [5.2832]
_cell_length_c [5.4004]
_cell_angle_alpha [63.9003]
_cell_angle_beta [89.6050]
_cell_angle_gamma [62.2500]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2CuTeO6]
_chemical_formula_sum '[Mg2 Cu1 Te1 O6]'
_cell_volume [111.5459]
_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  0.0137  0.9606  0.0510  1.0
  Mg  Mg1  1  0.5475  0.9232  0.5833  1.0
  Cu  Cu2  1  0.8042  0.3869  0.4307  1.0
  Te  Te3  1  0.3191  0.3604  0.9647  1.0
  O  O4  1  0.0924  0.4906  0.2280  1.0
  O  O5  1  0.2495  0.7974  0.7737  1.0
  O  O6  1  0.3919  0.9212  0.2208  1.0
  O  O7  1  0.5966  0.1916  0.7454  1.0
  O  O8  1  0.7030  0.1835  0.2439  1.0
  O  O9  1  0.9436  0.4614  0.7433  1.0
]