data_[Y8Cu8P8]
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 [17.7492]
_cell_length_b [3.8716]
_cell_length_c [7.5503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCuP]
_chemical_formula_sum '[Y8 Cu8 P8]'
_cell_volume [515.0018]
_cell_formula_units_Z [8]
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  0.0644  0.5000  0.8233  1
  Y  Y1  4  0.1156  0.0000  0.3316  1
  Cu  Cu2  4  0.2445  0.0000  0.6275  1
  Cu  Cu3  4  0.2464  0.5000  0.8736  1
  P  P4  4  0.1662  0.5000  0.5918  1
  P  P5  4  0.1706  0.5000  0.1074  1
]