data_[Pr3Ho7Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0646]
_cell_length_b [7.0646]
_cell_length_c [8.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr3Ho7Er]
_chemical_formula_sum '[Pr3 Ho7 Er1]'
_cell_volume [375.8717]
_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
[
  Pr  Pr0  3  0.1666  0.3333  0.2169  1
  Ho  Ho1  3  0.0016  0.5008  0.5558  1
  Ho  Ho2  3  0.3317  0.1658  0.8777  1
  Ho  Ho3  1  0.3333  0.6667  0.8769  1
  Er  Er4  1  0.0000  0.0000  0.5569  1
]