data_[Pm8Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.4626]
_cell_length_b [13.6718]
_cell_length_c [6.0564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PmZr]
_chemical_formula_sum '[Pm8 Zr8]'
_cell_volume [452.3129]
_cell_formula_units_Z [8]
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  0.0000  0.1505  0.6298  1
  Pm  Pm1  2  0.0000  0.0000  0.1736  1
  Pm  Pm2  2  0.0000  0.5000  0.1986  1
  Zr  Zr3  4  0.0000  0.2426  0.1337  1
  Zr  Zr4  4  0.0000  0.3786  0.7145  1
]