data_[Mg2Cu1W1O6]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1258]
_cell_length_b [5.2539]
_cell_length_c [5.7152]
_cell_angle_alpha [62.9350]
_cell_angle_beta [63.9361]
_cell_angle_gamma [61.4113]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2CuWO6]
_chemical_formula_sum '[Mg2 Cu1 W1 O6]'
_cell_volume [115.4117]
_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  0.2070  0.2041  0.3658  1.0
  Mg  Mg1  1  0.7044  0.6914  0.8839  1.0
  Cu  Cu2  1  0.4611  0.4482  0.6452  1.0
  W  W3  1  0.0031  0.0006  0.9748  1.0
  O  O4  1  0.0963  0.3919  0.6858  1.0
  O  O5  1  0.2753  0.9371  0.1439  1.0
  O  O6  1  0.3814  0.8217  0.6838  1.0
  O  O7  1  0.6313  0.2659  0.1373  1.0
  O  O8  1  0.8120  0.0832  0.6803  1.0
  O  O9  1  0.9386  0.6267  0.1493  1.0
]