data_[Sc2Zn4Tc2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5225]
_cell_length_b [5.4830]
_cell_length_c [8.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScZn2TcH6]
_chemical_formula_sum '[Sc2 Zn4 Tc2 H12]'
_cell_volume [172.3390]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  2  0.5000  0.0000  0.0000  1
  Zn  Zn1  4  0.2903  0.0806  0.2601  1
  Tc  Tc2  2  0.0000  0.0000  0.5000  1
  H  H3  4  0.0649  0.0645  0.7300  1
  H  H4  4  0.2073  0.7045  0.5899  1
  H  H5  4  0.3532  0.1561  0.5147  1
]