data_[Er12P10Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8804]
_cell_length_b [11.8895]
_cell_length_c [6.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6P5Cl]
_chemical_formula_sum '[Er12 P10 Cl2]'
_cell_volume [528.6856]
_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  8  0.2382  0.3249  0.7408  1
  Er  Er1  4  0.2363  0.5000  0.2587  1
  P  P2  4  0.0000  0.1615  0.5000  1
  P  P3  4  0.0000  0.3326  0.0000  1
  P  P4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]