data_[Sr2Ca6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.9981]
_cell_length_b [4.0914]
_cell_length_c [9.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrCa3Rh]
_chemical_formula_sum '[Sr2 Ca6 Rh2]'
_cell_volume [348.3560]
_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
[
  Sr  Sr0  1  0.2558  0.0000  0.9985  1.0
  Sr  Sr1  1  0.8357  0.5000  0.8506  1.0
  Ca  Ca2  1  0.0430  0.5000  0.2611  1.0
  Ca  Ca3  1  0.1901  0.5000  0.6431  1.0
  Ca  Ca4  1  0.4369  0.5000  0.3671  1.0
  Ca  Ca5  1  0.4987  0.0000  0.7011  1.0
  Ca  Ca6  1  0.6501  0.0000  0.0986  1.0
  Ca  Ca7  1  0.8571  0.0000  0.4950  1.0
  Rh  Rh8  1  0.2172  0.0000  0.4357  1.0
  Rh  Rh9  1  0.4880  0.5000  0.9115  1.0
]