data_[Er3Mg9Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8789]
_cell_length_b [4.8789]
_cell_length_c [23.8404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ErMg3Ni8]
_chemical_formula_sum '[Er3 Mg9 Ni24]'
_cell_volume [491.4648]
_cell_formula_units_Z [3]
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
[
  Er  Er0  3  0.0000  0.0000  0.1240  1.0
  Mg  Mg1  3  0.0000  0.0000  0.5055  1.0
  Mg  Mg2  3  0.0000  0.0000  0.6263  1.0
  Mg  Mg3  3  0.0000  0.0000  0.9961  1.0
  Ni  Ni4  9  0.0019  0.5010  0.5632  1.0
  Ni  Ni5  9  0.1667  0.3334  0.3946  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3122  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8127  1.0
]