data_[Y8Cu8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [14.5187]
_cell_length_b [3.9553]
_cell_length_c [10.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Cu2P3]
_chemical_formula_sum '[Y8 Cu8 P12]'
_cell_volume [506.0953]
_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
[
  Y  Y0  4  0.1060  0.5000  0.9419  1
  Y  Y1  4  0.2365  0.5000  0.3413  1
  Cu  Cu2  4  0.0478  0.0000  0.3184  1
  Cu  Cu3  4  0.0873  0.5000  0.6527  1
  P  P4  4  0.0768  0.0000  0.1226  1
  P  P5  4  0.1137  0.5000  0.4624  1
  P  P6  4  0.1594  0.0000  0.8084  1
]