data_[Sc2As2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7378]
_cell_length_b [3.6987]
_cell_length_c [6.3580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScAsH]
_chemical_formula_sum '[Sc2 As2 H2]'
_cell_volume [87.7196]
_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  1  0.1037  0.5000  0.9444  1
  Sc  Sc1  1  0.6458  0.5000  0.4012  1
  As  As2  1  0.2058  0.0000  0.6156  1
  As  As3  1  0.6161  0.0000  0.0699  1
  H  H4  1  0.1327  0.5000  0.2630  1
  H  H5  1  0.9125  0.0000  0.4071  1
]