data_[Co32As32H32]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0750]
_cell_length_b [14.7326]
_cell_length_c [8.2501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoAsH]
_chemical_formula_sum '[Co32 As32 H32]'
_cell_volume [1082.6432]
_cell_formula_units_Z [32]
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  4  0.0216  0.2687  0.9831  1
  Co  Co1  4  0.0992  0.4118  0.6494  1
  Co  Co2  4  0.1212  0.1135  0.6770  1
  Co  Co3  4  0.2281  0.2562  0.5764  1
  Co  Co4  4  0.3749  0.1023  0.2431  1
  Co  Co5  4  0.3868  0.6102  0.2908  1
  Co  Co6  2  0.0157  0.5000  0.8676  1
  Co  Co7  2  0.0838  0.0000  0.0788  1
  Co  Co8  2  0.3261  0.0000  0.4640  1
  Co  Co9  2  0.3288  0.5000  0.7285  1
  As  As10  4  0.1305  0.1370  0.9657  1
  As  As11  4  0.1518  0.1019  0.4302  1
  As  As12  4  0.1698  0.6330  0.9536  1
  As  As13  4  0.2627  0.7528  0.3048  1
  As  As14  4  0.3756  0.3840  0.5747  1
  As  As15  4  0.3777  0.1035  0.9437  1
  As  As16  4  0.4893  0.2370  0.2458  1
  As  As17  2  0.0800  0.5000  0.3936  1
  As  As18  2  0.2058  0.5000  0.2115  1
  H  H19  4  0.1328  0.2221  0.6642  1
  H  H20  4  0.2249  0.3356  0.7156  1
  H  H21  4  0.4044  0.2289  0.7389  1
  H  H22  4  0.4144  0.1002  0.4852  1
  H  H23  4  0.4242  0.4451  0.9512  1
  H  H24  2  0.0068  0.0000  0.8408  1
  H  H25  2  0.1216  0.0000  0.6963  1
  H  H26  2  0.2067  0.5000  0.7896  1
  H  H27  2  0.2780  0.0000  0.2221  1
  H  H28  2  0.3473  0.0000  0.6675  1
  H  H29  2  0.4202  0.5000  0.2529  1
]