data_[Li4Cu6P4]
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 [C2/m]
_cell_length_a [8.5955]
_cell_length_b [3.7708]
_cell_length_c [6.2968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cu3P2]
_chemical_formula_sum '[Li4 Cu6 P4]'
_cell_volume [190.1721]
_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  0.1418  0.0000  0.7857  1.0
  Cu  Cu1  4  0.1300  0.5000  0.4334  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  P  P3  4  0.1545  0.0000  0.2166  1.0
]