data_[Er4P4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8789]
_cell_length_b [8.3733]
_cell_length_c [6.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ErPRu]
_chemical_formula_sum '[Er4 P4 Ru4]'
_cell_volume [218.0638]
_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  2  0.0000  0.0817  0.9298  1.0
  Er  Er1  2  0.0000  0.3632  0.3624  1.0
  P  P2  2  0.5000  0.1231  0.2462  1.0
  P  P3  2  0.5000  0.4250  0.6749  1.0
  Ru  Ru4  2  0.5000  0.1618  0.6173  1.0
  Ru  Ru5  2  0.5000  0.3464  0.9952  1.0
]