data_[Mg4Cr2W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1859]
_cell_length_b [5.5312]
_cell_length_c [8.9867]
_cell_angle_alpha [105.7444]
_cell_angle_beta [90.1646]
_cell_angle_gamma [117.6677]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2CrWO6]
_chemical_formula_sum '[Mg4 Cr2 W2 O12]'
_cell_volume [217.2123]
_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  1  0.0801  0.1468  0.3524  1.0
  Mg  Mg1  1  0.3292  0.6478  0.1050  1.0
  Mg  Mg2  1  0.5778  0.1457  0.8539  1.0
  Mg  Mg3  1  0.8333  0.6434  0.6051  1.0
  Cr  Cr4  1  0.2688  0.5289  0.7532  1.0
  Cr  Cr5  1  0.7705  0.5215  0.2489  1.0
  W  W6  1  0.0192  0.0269  0.0009  1.0
  W  W7  1  0.5209  0.0266  0.5018  1.0
  O  O8  1  0.2127  0.8110  0.3093  1.0
  O  O9  1  0.2468  0.8112  0.9456  1.0
  O  O10  1  0.2777  0.8106  0.6430  1.0
  O  O11  1  0.2942  0.3074  0.8933  1.0
  O  O12  1  0.3260  0.3082  0.1909  1.0
  O  O13  1  0.3602  0.3024  0.5587  1.0
  O  O14  1  0.7158  0.8039  0.8131  1.0
  O  O15  1  0.7287  0.8072  0.4451  1.0
  O  O16  1  0.7769  0.8099  0.1387  1.0
  O  O17  1  0.7996  0.3133  0.3936  1.0
  O  O18  1  0.8280  0.3094  0.6961  1.0
  O  O19  1  0.8578  0.3105  0.0574  1.0
]