data_[Pm4Pr4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5022]
_cell_length_b [3.8129]
_cell_length_c [8.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPrNi]
_chemical_formula_sum '[Pm4 Pr4 Ni4]'
_cell_volume [319.5690]
_cell_formula_units_Z [4]
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  4  0.0854  0.5000  0.8864  1
  Pr  Pr1  4  0.1691  0.0000  0.5782  1
  Ni  Ni2  4  0.1224  0.0000  0.1729  1
]