data_[Er10Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2591]
_cell_length_b [3.9349]
_cell_length_c [12.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5Se7]
_chemical_formula_sum '[Er10 Se14]'
_cell_volume [612.3276]
_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  4  0.1131  0.0000  0.4221  1.0
  Er  Er1  4  0.2003  0.5000  0.8132  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0399  0.0000  0.7845  1.0
  Se  Se4  4  0.1598  0.5000  0.0502  1.0
  Se  Se5  4  0.2417  0.5000  0.3523  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]