data_[Mg2Re1W1]
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 [Pm]
_cell_length_a [2.7646]
_cell_length_b [4.4700]
_cell_length_c [5.5508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2ReW]
_chemical_formula_sum '[Mg2 Re1 W1]'
_cell_volume [67.6265]
_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  0.7418  0.5000  0.2531  1
  Mg  Mg1  1  0.9992  0.0000  0.9997  1
  Re  Re2  1  0.4699  0.0000  0.5214  1
  W  W3  1  0.2891  0.5000  0.7259  1
]