data_[Ca2Be2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3107]
_cell_length_b [3.0564]
_cell_length_c [10.2024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaBeRh2]
_chemical_formula_sum '[Ca2 Be2 Rh4]'
_cell_volume [134.4176]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.4257  1
  Be  Be1  2  0.0000  0.0000  0.7719  1
  Rh  Rh2  2  0.0000  0.0000  0.1139  1
  Rh  Rh3  2  0.5000  0.0000  0.6912  1
]