data_[La1Pr3Co8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8015]
_cell_length_b [3.8015]
_cell_length_c [21.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaPr3(CoP)8]
_chemical_formula_sum '[La1 Pr3 Co8 P8]'
_cell_volume [313.6718]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  2  0.5000  0.5000  0.2518  1.0
  Pr  Pr2  1  0.0000  0.0000  0.5000  1.0
  Co  Co3  4  0.0000  0.5000  0.1276  1.0
  Co  Co4  4  0.0000  0.5000  0.3759  1.0
  P  P5  2  0.0000  0.0000  0.1802  1.0
  P  P6  2  0.0000  0.0000  0.3237  1.0
  P  P7  2  0.5000  0.5000  0.0757  1.0
  P  P8  2  0.5000  0.5000  0.4284  1.0
]