data_[Zn2Cr1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6640]
_cell_length_b [4.2316]
_cell_length_c [5.0451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zn2CrW]
_chemical_formula_sum '[Zn2 Cr1 W1]'
_cell_volume [56.4386]
_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
[
  Zn  Zn0  1  0.8547  0.5000  0.2542  1
  Zn  Zn1  1  0.8786  0.0000  0.9983  1
  Cr  Cr2  1  0.4789  0.0000  0.5031  1
  W  W3  1  0.2877  0.5000  0.7444  1
]