data_[Ta6Mo4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3067]
_cell_length_b [3.0905]
_cell_length_c [6.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3(MoH2)2]
_chemical_formula_sum '[Ta6 Mo4 H8]'
_cell_volume [193.7514]
_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
[
  Ta  Ta0  4  0.1180  0.5000  0.3872  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.1918  0.5000  0.8095  1
  H  H3  4  0.0507  0.0000  0.7228  1
  H  H4  4  0.1586  0.5000  0.0949  1
]