data_[Er6Sc2Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3201]
_cell_length_b [6.1698]
_cell_length_c [5.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Er3ScCo]
_chemical_formula_sum '[Er6 Sc2 Co2]'
_cell_volume [265.2744]
_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  0.2497  0.6813  0.4224  1
  Er  Er1  2  0.0000  0.8447  0.9273  1
  Sc  Sc2  2  0.0000  0.1570  0.4250  1
  Co  Co3  2  0.0000  0.4858  0.1811  1
]