data_[Mg2Re2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2832]
_cell_length_b [2.6814]
_cell_length_c [5.2138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgReW2]
_chemical_formula_sum '[Mg2 Re2 W4]'
_cell_volume [129.5975]
_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  0.4995  0.0000  0.4993  1
  Re  Re1  2  0.2507  0.5000  0.2547  1
  W  W2  2  0.0000  0.0000  0.0022  1
  W  W3  2  0.2498  0.0000  0.7438  1
]