data_[Sr1Re1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8740]
_cell_length_b [4.2948]
_cell_length_c [7.0175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrReW2]
_chemical_formula_sum '[Sr1 Re1 W2]'
_cell_volume [84.8751]
_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
[
  Sr  Sr0  1  0.2452  0.5000  0.7447  1
  Re  Re1  1  0.4892  0.0000  0.4171  1
  W  W2  1  0.0166  0.0000  0.0819  1
  W  W3  1  0.7490  0.5000  0.2563  1
]