data_[Er4Sb2As1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1925]
_cell_length_b [4.1595]
_cell_length_c [7.2547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Sb2AsS]
_chemical_formula_sum '[Er4 Sb2 As1 S1]'
_cell_volume [204.8765]
_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
[
  Er  Er0  2  0.2438  0.0000  0.7313  1
  Er  Er1  2  0.2560  0.5000  0.2689  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  As  As4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]