data_[Er2P10]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9335]
_cell_length_b [9.3843]
_cell_length_c [5.3291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErP5]
_chemical_formula_sum '[Er2 P10]'
_cell_volume [241.0704]
_cell_formula_units_Z [2]
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  0.0032  0.2500  0.3467  1.0
  P  P1  4  0.2843  0.5285  0.4054  1.0
  P  P2  4  0.3839  0.5930  0.0438  1.0
  P  P3  2  0.2727  0.2500  0.8913  1.0
]