data_[Zn12As2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.0768]
_cell_length_b [6.3244]
_cell_length_c [10.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Zn6AsP2]
_chemical_formula_sum '[Zn12 As2 P4]'
_cell_volume [327.8824]
_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  8  0.1979  0.7234  0.1392  1
  Zn  Zn1  4  0.2219  0.1356  0.0000  1
  As  As2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.0000  0.5000  0.2976  1
]