data_[La8Cu8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [15.2716]
_cell_length_b [4.1011]
_cell_length_c [11.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Cu2P3]
_chemical_formula_sum '[La8 Cu8 P12]'
_cell_volume [569.6482]
_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
[
  La  La0  4  0.1054  0.5000  0.9372  1
  La  La1  4  0.2382  0.5000  0.3422  1
  Cu  Cu2  4  0.0461  0.0000  0.3215  1
  Cu  Cu3  4  0.0858  0.5000  0.6440  1
  P  P4  4  0.0700  0.0000  0.1204  1
  P  P5  4  0.1059  0.5000  0.4525  1
  P  P6  4  0.1506  0.0000  0.7952  1
]