data_[V6As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7419]
_cell_length_b [3.2783]
_cell_length_c [6.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3(AsH)2]
_chemical_formula_sum '[V6 As4 H4]'
_cell_volume [163.2637]
_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
[
  V  V0  4  0.1716  0.5000  0.2746  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  As  As2  4  0.1357  0.5000  0.8288  1.0
  H  H3  4  0.1730  0.0000  0.4184  1.0
]