data_[Pm6Er8In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.4077]
_cell_length_b [9.4077]
_cell_length_c [6.3469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pm6Er8In]
_chemical_formula_sum '[Pm6 Er8 In1]'
_cell_volume [486.4692]
_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
[
  Pm  Pm0  6  0.0899  0.6397  0.6841  1
  Er  Er1  6  0.0388  0.7753  0.1877  1
  Er  Er2  2  0.3333  0.6667  0.1721  1
  In  In3  1  0.0000  0.0000  0.5000  1
]