data_[La2Cu8P6]
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 [P4/nmm]
_cell_length_a [5.7890]
_cell_length_b [5.7890]
_cell_length_c [7.3664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LaCu4P3]
_chemical_formula_sum '[La2 Cu8 P6]'
_cell_volume [246.8693]
_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
[
  La  La0  2  0.0000  0.5000  0.9805  1.0
  Cu  Cu1  8  0.2325  0.2675  0.3268  1.0
  P  P2  4  0.0000  0.0000  0.1537  1.0
  P  P3  2  0.0000  0.5000  0.5244  1.0
]