data_[La28P4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8381]
_cell_length_b [12.4884]
_cell_length_c [22.4207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La7PN5]
_chemical_formula_sum '[La28 P4 N20]'
_cell_volume [1074.6473]
_cell_formula_units_Z [4]
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  8  0.0000  0.1370  0.0320  1
  La  La1  8  0.0000  0.3171  0.6657  1
  La  La2  8  0.0000  0.4163  0.1027  1
  La  La3  4  0.0000  0.0172  0.7500  1
  P  P4  4  0.0000  0.3048  0.2500  1
  N  N5  8  0.0000  0.0534  0.1436  1
  N  N6  8  0.0000  0.2233  0.5736  1
  N  N7  4  0.0000  0.5000  0.0000  1
]