data_[Er6Ni8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0566]
_cell_length_b [6.6750]
_cell_length_c [13.3413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3(NiAs)4]
_chemical_formula_sum '[Er6 Ni8 As8]'
_cell_volume [361.2568]
_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  0.0000  0.0000  0.1291  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  8  0.0000  0.1945  0.6737  1.0
  As  As3  4  0.0000  0.2946  0.5000  1.0
  As  As4  4  0.0000  0.5000  0.2162  1.0
]