data_[Zn6Cu3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmm]
_cell_length_a [3.8073]
_cell_length_b [5.1139]
_cell_length_c [10.3814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Zn2CuP]
_chemical_formula_sum '[Zn6 Cu3 P3]'
_cell_volume [202.1311]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  4  0.5000  0.2453  0.2369  1
  Zn  Zn1  2  0.0000  0.5000  0.3658  1
  Cu  Cu2  2  0.5000  0.2525  0.5000  1
  Cu  Cu3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.5000  0.2814  0.0000  1
  P  P5  1  0.0000  0.0000  0.5000  1
]