data_[Ce1Nd2Er1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9457]
_cell_length_b [3.9861]
_cell_length_c [6.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeNd2ErS4]
_chemical_formula_sum '[Ce1 Nd2 Er1 S4]'
_cell_volume [182.1577]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd1  1  0.5000  0.0000  0.5000  1.0
  Nd  Nd2  1  0.5000  0.5000  0.0000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2355  0.5000  0.2384  1.0
  S  S5  2  0.2408  0.0000  0.7540  1.0
]