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 [P1]
_cell_length_a [6.9292]
_cell_length_b [7.6097]
_cell_length_c [7.7321]
_cell_angle_alpha [108.1301]
_cell_angle_beta [106.9248]
_cell_angle_gamma [92.9624]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCa3Rh]
_chemical_formula_sum '[Sr2 Ca6 Rh2]'
_cell_volume [366.1203]
_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  0.3489  0.3123  0.0053  1.0
  Sr  Sr1  1  0.8548  0.0127  0.5501  1.0
  Ca  Ca2  1  0.3383  0.7950  0.8972  1.0
  Ca  Ca3  1  0.3407  0.8233  0.4013  1.0
  Ca  Ca4  1  0.3709  0.3532  0.5110  1.0
  Ca  Ca5  1  0.8253  0.4834  0.4466  1.0
  Ca  Ca6  1  0.8379  0.5525  0.9514  1.0
  Ca  Ca7  1  0.8408  0.0497  0.0512  1.0
  Rh  Rh8  1  0.5405  0.1078  0.2546  1.0
  Rh  Rh9  1  0.6364  0.7240  0.6939  1.0
]