data_[Er8Cr4P4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0581]
_cell_length_b [13.4230]
_cell_length_c [9.8236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2CrPN5]
_chemical_formula_sum '[Er8 Cr4 P4 N20]'
_cell_volume [403.2476]
_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
[
  Er  Er0  4  0.0000  0.1123  0.6726  1.0
  Er  Er1  4  0.0000  0.1394  0.3215  1.0
  Cr  Cr2  4  0.0000  0.2128  0.0394  1.0
  P  P3  4  0.0000  0.4406  0.4279  1.0
  N  N4  4  0.0000  0.0437  0.0198  1.0
  N  N5  4  0.0000  0.2920  0.6592  1.0
  N  N6  4  0.0000  0.3220  0.3856  1.0
  N  N7  4  0.0000  0.3486  0.0085  1.0
  N  N8  4  0.0000  0.4951  0.7894  1.0
]