data_[Pr6Cu4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9235]
_cell_length_b [4.0018]
_cell_length_c [8.5464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(CuP2)2]
_chemical_formula_sum '[Pr6 Cu4 P8]'
_cell_volume [377.2964]
_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
[
  Pr  Pr0  4  0.1379  0.5000  0.7257  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1810  0.5000  0.3753  1.0
  P  P3  4  0.0910  0.0000  0.4084  1.0
  P  P4  4  0.1800  0.5000  0.0987  1.0
]