data_[Zr12Co4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6856]
_cell_length_b [3.3271]
_cell_length_c [9.2521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3CoH]
_chemical_formula_sum '[Zr12 Co4 H4]'
_cell_volume [325.2364]
_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  4  0.1103  0.5000  0.2079  1.0
  Zr  Zr1  4  0.1297  0.0000  0.9121  1.0
  Zr  Zr2  4  0.1481  0.5000  0.5999  1.0
  Co  Co3  4  0.0542  0.0000  0.3912  1.0
  H  H4  4  0.2496  0.0000  0.1521  1.0
]