data_[Mg3Zr1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1868]
_cell_length_b [3.1868]
_cell_length_c [10.6116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mg3ZrRh2]
_chemical_formula_sum '[Mg3 Zr1 Rh2]'
_cell_volume [107.7691]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.6567  1
  Mg  Mg1  1  0.5000  0.5000  0.1322  1
  Mg  Mg2  1  0.5000  0.5000  0.8572  1
  Zr  Zr3  1  0.0000  0.0000  0.3550  1
  Rh  Rh4  1  0.0000  0.0000  0.9933  1
  Rh  Rh5  1  0.5000  0.5000  0.5056  1
]