data_[Pm1Sm4Er7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5477]
_cell_length_b [6.8178]
_cell_length_c [9.0175]
_cell_angle_alpha [84.5807]
_cell_angle_beta [76.9901]
_cell_angle_gamma [81.2132]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmSm4Er7]
_chemical_formula_sum '[Pm1 Sm4 Er7]'
_cell_volume [386.8599]
_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  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.1660  0.6140  0.3102  1
  Sm  Sm2  2  0.3618  0.1936  0.7124  1
  Er  Er3  2  0.1875  0.1053  0.3847  1
  Er  Er4  2  0.3189  0.7021  0.6434  1
  Er  Er5  2  0.4853  0.2498  0.0493  1
  Er  Er6  1  0.0000  0.5000  0.0000  1
]