data_[Re1Mo2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7246]
_cell_length_b [4.4698]
_cell_length_c [5.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReMo2W]
_chemical_formula_sum '[Re1 Mo2 W1]'
_cell_volume [63.1939]
_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
[
  Re  Re0  1  0.5033  0.0000  0.4982  1.0
  Mo  Mo1  1  0.0009  0.0000  0.9985  1.0
  Mo  Mo2  1  0.2435  0.5000  0.7515  1.0
  W  W3  1  0.7524  0.5000  0.2517  1.0
]