data_[Er12Co2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0553]
_cell_length_b [12.2009]
_cell_length_c [7.0177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6CoSe5]
_chemical_formula_sum '[Er12 Co2 Se10]'
_cell_volume [568.5330]
_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  0.2256  0.1512  0.2278  1
  Er  Er1  4  0.2238  0.0000  0.7670  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1784  0.5000  1
  Se  Se4  4  0.0000  0.3352  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]