data_[Pr1Sm4Ho2Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2584]
_cell_length_b [3.5881]
_cell_length_c [11.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrSm4Ho2Er]
_chemical_formula_sum '[Pr1 Sm4 Ho2 Er1]'
_cell_volume [264.3200]
_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  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.2501  0.0000  0.7475  1.0
  Sm  Sm2  2  0.2510  0.5000  0.2542  1.0
  Ho  Ho3  1  0.5000  0.0000  0.5000  1.0
  Ho  Ho4  1  0.5000  0.5000  0.0000  1.0
  Er  Er5  1  0.0000  0.5000  0.5000  1.0
]