data_[Y1Zn1Cu1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9853]
_cell_length_b [3.9853]
_cell_length_c [6.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YZnCuP2]
_chemical_formula_sum '[Y1 Zn1 Cu1 P2]'
_cell_volume [90.1174]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.0153  1.0
  Zn  Zn1  1  0.0000  0.0000  0.6244  1.0
  Cu  Cu2  1  0.6667  0.3333  0.3610  1.0
  P  P3  1  0.0000  0.0000  0.2550  1.0
  P  P4  1  0.6667  0.3333  0.7443  1.0
]