data_[Lu8Cu8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.1963]
_cell_length_b [19.2919]
_cell_length_c [5.2243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LuCuP2]
_chemical_formula_sum '[Lu8 Cu8 P16]'
_cell_volume [523.7200]
_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
[
  Lu  Lu0  8  0.0000  0.1164  0.0060  1.0
  Cu  Cu1  8  0.2500  0.2500  0.2570  1.0
  P  P2  8  0.0000  0.1692  0.5066  1.0
  P  P3  8  0.2196  0.0000  0.7303  1.0
]