data_[La1Ce2Er1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1784]
_cell_length_b [3.5731]
_cell_length_c [6.2246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaCe2ErN4]
_chemical_formula_sum '[La1 Ce2 Er1 N4]'
_cell_volume [129.5916]
_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  0.5000  0.5000  0.0000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Ce  Ce2  1  0.0000  0.5000  0.5000  1
  Er  Er3  1  0.5000  0.0000  0.5000  1
  N  N4  2  0.2369  0.0000  0.7322  1
  N  N5  2  0.2474  0.5000  0.2605  1
]