data_[Cr2Ni2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.5395]
_cell_length_b [3.6338]
_cell_length_c [5.3161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrNiH]
_chemical_formula_sum '[Cr2 Ni2 H2]'
_cell_volume [48.9370]
_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
[
  Cr  Cr0  2  0.3180  0.2500  0.3890  1.0
  Ni  Ni1  2  0.2349  0.2500  0.8681  1.0
  H  H2  2  0.2295  0.7500  0.8875  1.0
]