data_[Zr8As12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9159]
_cell_length_b [5.7375]
_cell_length_c [12.6001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2As3W4C3]
_chemical_formula_sum '[Zr8 As12 W16 C12]'
_cell_volume [692.7232]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.0470  0.4172  0.8934  1
  As  As1  8  0.1818  0.4011  0.2486  1
  As  As2  4  0.0000  0.0527  0.7500  1
  W  W3  8  0.1103  0.0869  0.0850  1
  W  W4  8  0.2239  0.0805  0.4162  1
  C  C5  8  0.0847  0.2470  0.5004  1
  C  C6  4  0.2500  0.2500  0.0000  1
]