data_[Ca12Mg8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3221]
_cell_length_b [9.0072]
_cell_length_c [8.1219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca3Mg2Rh]
_chemical_formula_sum '[Ca12 Mg8 Rh4]'
_cell_volume [683.6023]
_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
[
  Ca  Ca0  8  0.1250  0.0988  0.4728  1
  Ca  Ca1  4  0.0000  0.4721  0.7500  1
  Mg  Mg2  8  0.1960  0.7345  0.6283  1
  Rh  Rh3  4  0.0000  0.1673  0.7500  1
]