data_[La1Zn3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4980]
_cell_length_b [6.5119]
_cell_length_c [17.0521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [115.5995]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La(ZnP)3]
_chemical_formula_sum '[La1 Zn3 P3]'
_cell_volume [650.7226]
_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
[
  La  La0  1  0.8003  0.3155  0.4477  1
  Zn  Zn1  1  0.1083  0.7743  0.5239  1
  Zn  Zn2  1  0.1853  0.1652  0.4846  1
  Zn  Zn3  1  0.5357  0.7790  0.5083  1
  P  P4  1  0.1931  0.4749  0.5495  1
  P  P5  1  0.4616  0.0946  0.5531  1
  P  P6  1  0.8572  0.8345  0.4329  1
]