data_[Na2Zr2Cr2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6605]
_cell_length_b [4.4636]
_cell_length_c [3.0334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaZrCrH]
_chemical_formula_sum '[Na2 Zr2 Cr2 H2]'
_cell_volume [130.7159]
_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
[
  Na  Na0  2  0.2374  0.5000  0.9069  1
  Zr  Zr1  2  0.4231  0.0000  0.5089  1
  Cr  Cr2  2  0.0594  0.0000  0.0741  1
  H  H3  2  0.2619  0.0000  0.0134  1
]