data_[Li10Cu8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8542]
_cell_length_b [8.6754]
_cell_length_c [12.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5(Cu2P3)2]
_chemical_formula_sum '[Li10 Cu8 P12]'
_cell_volume [420.8996]
_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
[
  Li  Li0  4  0.0000  0.3267  0.0000  1.0
  Li  Li1  4  0.0000  0.5000  0.2219  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  8  0.0000  0.2331  0.3275  1.0
  P  P4  8  0.0000  0.1240  0.1487  1.0
  P  P5  4  0.0000  0.0000  0.4143  1.0
]