data_[Cr2Pt1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7080]
_cell_length_b [3.7574]
_cell_length_c [5.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cr2PtW]
_chemical_formula_sum '[Cr2 Pt1 W1]'
_cell_volume [55.8079]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0159  1
  Cr  Cr1  1  0.5000  0.5000  0.2261  1
  Pt  Pt2  1  0.0000  0.0000  0.4887  1
  W  W3  1  0.5000  0.5000  0.7692  1
]