data_[Ce2Er2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0053]
_cell_length_b [3.7945]
_cell_length_c [8.2920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeErNiS3]
_chemical_formula_sum '[Ce2 Er2 Ni2 S6]'
_cell_volume [246.3240]
_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
[
  Ce  Ce0  2  0.1705  0.2500  0.2391  1.0
  Er  Er1  2  0.3309  0.7500  0.8250  1.0
  Ni  Ni2  2  0.0900  0.2500  0.5913  1.0
  S  S3  2  0.1014  0.2500  0.8651  1.0
  S  S4  2  0.2117  0.7500  0.5022  1.0
  S  S5  2  0.4219  0.7500  0.1665  1.0
]