data_[Sr1P1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8470]
_cell_length_b [5.2565]
_cell_length_c [5.1375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrPW2]
_chemical_formula_sum '[Sr1 P1 W2]'
_cell_volume [76.8432]
_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  0.5000  0.5000  0.0000  1
  P  P1  1  0.0000  0.5000  0.5000  1
  W  W2  2  0.1013  0.0000  0.2611  1
]