data_[Mg2H2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.8838]
_cell_length_b [4.6546]
_cell_length_c [5.7780]
_cell_angle_alpha [89.9286]
_cell_angle_beta [77.9810]
_cell_angle_gamma [87.5396]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgHW]
_chemical_formula_sum '[Mg2 H2 W2]'
_cell_volume [75.7864]
_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  0.1070  0.8409  0.8701  1
  Mg  Mg1  1  0.4594  0.3638  0.1293  1
  H  H2  1  0.1309  0.0731  0.3482  1
  H  H3  1  0.2488  0.3330  0.8127  1
  W  W4  1  0.6446  0.8228  0.3961  1
  W  W5  1  0.8381  0.3455  0.5993  1
]