data_[Er8Cr2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9892]
_cell_length_b [3.9417]
_cell_length_c [11.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er4CrSe7]
_chemical_formula_sum '[Er8 Cr2 Se14]'
_cell_volume [590.2337]
_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  0.0007  0.0000  0.0065  1.0
  Er  Er1  2  0.1950  0.5000  0.8035  1.0
  Er  Er2  2  0.3047  0.0000  0.2041  1.0
  Er  Er3  2  0.3867  0.5000  0.5650  1.0
  Cr  Cr4  2  0.1154  0.0000  0.4236  1.0
  Se  Se5  2  0.0081  0.5000  0.4946  1.0
  Se  Se6  2  0.0351  0.0000  0.7842  1.0
  Se  Se7  2  0.1630  0.5000  0.0510  1.0
  Se  Se8  2  0.2298  0.5000  0.3534  1.0
  Se  Se9  2  0.2530  0.0000  0.6366  1.0
  Se  Se10  2  0.3400  0.0000  0.9486  1.0
  Se  Se11  2  0.4686  0.5000  0.2289  1.0
]