data_[Li6Sc3Cu6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9103]
_cell_length_b [3.9103]
_cell_length_c [22.0851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Sc(CuP)2]
_chemical_formula_sum '[Li6 Sc3 Cu6 P6]'
_cell_volume [292.4455]
_cell_formula_units_Z [3]
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
[
  Li  Li0  6  0.0000  0.0000  0.1417  1.0
  Sc  Sc1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  6  0.0000  0.0000  0.4217  1.0
  P  P3  6  0.0000  0.0000  0.2578  1.0
]