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 [P2_1/m]
_cell_length_a [6.9617]
_cell_length_b [7.5410]
_cell_length_c [8.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3CaRh]
_chemical_formula_sum '[Sr6 Ca2 Rh2]'
_cell_volume [404.2876]
_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  4  0.0002  0.5006  0.7402  1.0
  Sr  Sr1  2  0.4547  0.7500  0.6095  1.0
  Ca  Ca2  2  0.4902  0.7500  0.1290  1.0
  Rh  Rh3  2  0.2172  0.2500  0.5572  1.0
]