data_[Pm6Ni14P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9244]
_cell_length_b [3.8580]
_cell_length_c [9.1669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Ni7P4]
_chemical_formula_sum '[Pm6 Ni14 P8]'
_cell_volume [418.8055]
_cell_formula_units_Z [2]
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  0.1840  0.5000  0.1792  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.0044  0.5000  0.7807  1
  Ni  Ni3  4  0.1558  0.0000  0.9153  1
  Ni  Ni4  4  0.1938  0.5000  0.5145  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  P  P6  4  0.1080  0.0000  0.3216  1
  P  P7  4  0.1612  0.5000  0.7898  1
]