data_[Zn2Cu2P2]
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 [Cm]
_cell_length_a [6.9832]
_cell_length_b [3.9685]
_cell_length_c [4.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCuP]
_chemical_formula_sum '[Zn2 Cu2 P2]'
_cell_volume [98.5878]
_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
[
  Zn  Zn0  2  0.1811  0.5000  0.2335  1.0
  Cu  Cu1  2  0.1259  0.0000  0.5467  1.0
  P  P2  2  0.4638  0.0000  0.5715  1.0
]