data_[Na1Ca3H6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2483]
_cell_length_b [5.2483]
_cell_length_c [6.4698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaCa3(H3Rh)2]
_chemical_formula_sum '[Na1 Ca3 H6 Rh2]'
_cell_volume [154.3349]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1
  Ca  Ca1  2  0.3333  0.6667  0.7004  1
  Ca  Ca2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.1756  0.3512  0.2903  1
  Rh  Rh4  2  0.3333  0.6667  0.1534  1
]