data_[Sr12Ca4Rh4]
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 [C2/m]
_cell_length_a [20.1753]
_cell_length_b [4.3367]
_cell_length_c [9.9271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3CaRh]
_chemical_formula_sum '[Sr12 Ca4 Rh4]'
_cell_volume [801.0900]
_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
[
  Sr  Sr0  4  0.0310  0.0000  0.7030  1.0
  Sr  Sr1  4  0.1103  0.5000  0.1196  1.0
  Sr  Sr2  4  0.1651  0.0000  0.4927  1.0
  Ca  Ca3  4  0.2031  0.5000  0.8169  1.0
  Rh  Rh4  4  0.0729  0.5000  0.5375  1.0
]