data_[Ca1Mg1Ge2Rh2]
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
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1313]
_cell_length_b [4.1313]
_cell_length_c [6.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaMg(GeRh)2]
_chemical_formula_sum '[Ca1 Mg1 Ge2 Rh2]'
_cell_volume [115.6822]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8384  1
  Mg  Mg1  1  0.5000  0.5000  0.1967  1
  Ge  Ge2  1  0.0000  0.0000  0.2779  1
  Ge  Ge3  1  0.5000  0.5000  0.7032  1
  Rh  Rh4  2  0.0000  0.5000  0.4919  1
]