data_[Cu1Sb2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9236]
_cell_length_b [3.7404]
_cell_length_c [8.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CuSb2W]
_chemical_formula_sum '[Cu1 Sb2 W1]'
_cell_volume [87.8323]
_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
[
  Cu  Cu0  1  0.5000  0.5000  0.7183  1
  Sb  Sb1  1  0.0000  0.0000  0.9009  1
  Sb  Sb2  1  0.5000  0.5000  0.3311  1
  W  W3  1  0.0000  0.0000  0.5497  1
]