data_[Pm3Mg3Ga12Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2407]
_cell_length_b [4.2407]
_cell_length_c [28.3241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmMg(Ga2Cu)2]
_chemical_formula_sum '[Pm3 Mg3 Ga12 Cu6]'
_cell_volume [441.1231]
_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
[
  Pm  Pm0  3  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga2  6  0.0000  0.0000  0.1156  1
  Ga  Ga3  6  0.0000  0.0000  0.3974  1
  Cu  Cu4  6  0.0000  0.0000  0.2403  1
]