data_[La2Hf1Zr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8052]
_cell_length_b [3.9361]
_cell_length_c [7.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2HfZrP4]
_chemical_formula_sum '[La2 Hf1 Zr1 P4]'
_cell_volume [177.3634]
_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  0.0000  0.5000  0.5000  1.0
  La  La1  1  0.5000  0.0000  0.5000  1.0
  Hf  Hf2  1  0.5000  0.5000  0.0000  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0000  1.0
  P  P4  2  0.2419  0.5000  0.2189  1.0
  P  P5  2  0.2632  0.0000  0.7828  1.0
]