data_[Hf12Co4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0210]
_cell_length_b [3.5358]
_cell_length_c [7.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3CoAs]
_chemical_formula_sum '[Hf12 Co4 As4]'
_cell_volume [371.1023]
_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
[
  Hf  Hf0  4  0.0471  0.0000  0.2045  1.0
  Hf  Hf1  4  0.1020  0.5000  0.5519  1.0
  Hf  Hf2  4  0.2474  0.5000  0.1908  1.0
  Co  Co3  4  0.2027  0.0000  0.4199  1.0
  As  As4  4  0.1059  0.5000  0.9271  1.0
]