data_[La4Ni24P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9098]
_cell_length_b [3.6836]
_cell_length_c [13.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2Ni12P5]
_chemical_formula_sum '[La4 Ni24 P10]'
_cell_volume [502.3780]
_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
[
  La  La0  2  0.2210  0.2500  0.6833  1
  La  La1  2  0.2523  0.2500  0.1878  1
  Ni  Ni2  2  0.0619  0.7500  0.7967  1
  Ni  Ni3  2  0.0784  0.7500  0.4903  1
  Ni  Ni4  2  0.0805  0.7500  0.9901  1
  Ni  Ni5  2  0.0941  0.7500  0.3049  1
  Ni  Ni6  2  0.2015  0.2500  0.9185  1
  Ni  Ni7  2  0.2134  0.2500  0.4383  1
  Ni  Ni8  2  0.3431  0.7500  0.5614  1
  Ni  Ni9  2  0.3437  0.7500  0.8647  1
  Ni  Ni10  2  0.4283  0.2500  0.0145  1
  Ni  Ni11  2  0.4346  0.2500  0.4483  1
  Ni  Ni12  2  0.4894  0.7500  0.1509  1
  Ni  Ni13  2  0.4937  0.7500  0.3410  1
  P  P14  2  0.0076  0.7500  0.1287  1
  P  P15  2  0.0078  0.2500  0.3786  1
  P  P16  2  0.2996  0.7500  0.0164  1
  P  P17  2  0.3110  0.7500  0.3876  1
  P  P18  2  0.4517  0.7500  0.7407  1
]