data_[Sc2Mo2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9233]
_cell_length_b [3.3615]
_cell_length_c [5.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScMoH]
_chemical_formula_sum '[Sc2 Mo2 H2]'
_cell_volume [86.9089]
_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  0.1022  0.2500  0.2586  1
  Mo  Mo1  2  0.4315  0.2500  0.8308  1
  H  H2  2  0.0783  0.2500  0.6308  1
]