data_[Cr1Cu1Ni2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7061]
_cell_length_b [2.5909]
_cell_length_c [4.7302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrCu(NiH2)2]
_chemical_formula_sum '[Cr1 Cu1 Ni2 H4]'
_cell_volume [54.2692]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  1  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni3  1  0.5000  0.5000  0.0000  1.0
  H  H4  2  0.2645  0.5000  0.2415  1.0
  H  H5  2  0.2729  0.0000  0.7946  1.0
]