data_[Co11As9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.2096]
_cell_length_b [8.2096]
_cell_length_c [17.9700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Co11As9]
_chemical_formula_sum '[Co11 As9]'
_cell_volume [1048.8788]
_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
[
  Co  Co0  6  0.1697  0.4941  0.5481  1
  Co  Co1  3  0.0000  0.1687  0.5228  1
  Co  Co2  2  0.3333  0.6667  0.4390  1
  As  As3  6  0.1762  0.3566  0.4188  1
  As  As4  3  0.0000  0.6627  0.5840  1
]