data_[Zn2Cu6P4]
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 [Amm2]
_cell_length_a [19.4450]
_cell_length_b [2.7391]
_cell_length_c [8.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZnCu3P2]
_chemical_formula_sum '[Zn2 Cu6 P4]'
_cell_volume [459.5150]
_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  0.5000  0.0000  0.7616  1
  Cu  Cu1  4  0.3857  0.0000  0.1926  1
  Cu  Cu2  2  0.5000  0.0000  0.0300  1
  P  P3  4  0.3874  0.0000  0.9188  1
]