data_[Ca4Al4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.7638]
_cell_length_b [7.4397]
_cell_length_c [5.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CaAlRh]
_chemical_formula_sum '[Ca4 Al4 Rh4]'
_cell_volume [246.6133]
_cell_formula_units_Z [4]
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  4  0.3670  0.5999  0.2500  1.0
  Al  Al1  4  0.1022  0.2500  0.0000  1.0
  Rh  Rh2  4  0.1247  0.5200  0.7500  1.0
]