data_[Sr2Zr1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2930]
_cell_length_b [4.5936]
_cell_length_c [8.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sr2ZrW]
_chemical_formula_sum '[Sr2 Zr1 W1]'
_cell_volume [128.2055]
_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  0.0198  0.0000  0.9364  1
  Sr  Sr1  1  0.7131  0.5000  0.3153  1
  Zr  Zr2  1  0.2666  0.5000  0.6702  1
  W  W3  1  0.5005  0.0000  0.5781  1
]