data_[Er8Cu8P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.2504]
_cell_length_b [19.4794]
_cell_length_c [5.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [ErCuP2]
_chemical_formula_sum '[Er8 Cu8 P16]'
_cell_volume [535.5155]
_cell_formula_units_Z [8]
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  8  0.0000  0.1176  0.9937  1.0
  Cu  Cu1  8  0.2500  0.2500  0.2425  1.0
  P  P2  8  0.0000  0.1706  0.4931  1.0
  P  P3  8  0.2175  0.0000  0.2707  1.0
]