data_[Na4Cu12P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [14.5483]
_cell_length_b [3.8618]
_cell_length_c [7.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCu3P2]
_chemical_formula_sum '[Na4 Cu12 P8]'
_cell_volume [366.4528]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.1605  0.0000  0.0677  1
  Cu  Cu1  4  0.0436  0.0000  0.3621  1
  Cu  Cu2  4  0.0943  0.5000  0.6825  1
  Cu  Cu3  4  0.1838  0.5000  0.4358  1
  P  P4  4  0.0221  0.5000  0.1674  1
  P  P5  4  0.1835  0.0000  0.6710  1
]