data_[Er4Ge1P2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9212]
_cell_length_b [3.9511]
_cell_length_c [6.9235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4GeP2S]
_chemical_formula_sum '[Er4 Ge1 P2 S1]'
_cell_volume [178.8245]
_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  0.2459  0.0000  0.7429  1
  Er  Er1  2  0.2545  0.5000  0.2572  1
  Ge  Ge2  1  0.5000  0.5000  0.0000  1
  P  P3  1  0.0000  0.5000  0.5000  1
  P  P4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]