data_[Sr6Ca2Rh2]
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 [7.2776]
_cell_length_b [8.1018]
_cell_length_c [8.1046]
_cell_angle_alpha [62.3661]
_cell_angle_beta [88.8960]
_cell_angle_gamma [89.0431]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr3CaRh]
_chemical_formula_sum '[Sr6 Ca2 Rh2]'
_cell_volume [423.2570]
_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  0.1300  0.1110  0.6114  1.0
  Sr  Sr1  1  0.4659  0.8678  0.3658  1.0
  Sr  Sr2  1  0.6298  0.3590  0.3738  1.0
  Sr  Sr3  1  0.6374  0.8656  0.8701  1.0
  Sr  Sr4  1  0.9696  0.5909  0.6233  1.0
  Sr  Sr5  1  0.9775  0.1061  0.1094  1.0
  Ca  Ca6  1  0.1464  0.5851  0.1173  1.0
  Ca  Ca7  1  0.4796  0.3516  0.8835  1.0
  Rh  Rh8  1  0.3035  0.2398  0.2342  1.0
  Rh  Rh9  1  0.7917  0.2337  0.7470  1.0
]