data_[Ba2Er2Ga2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5294]
_cell_length_b [6.7400]
_cell_length_c [8.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaErGaS4]
_chemical_formula_sum '[Ba2 Er2 Ga2 S8]'
_cell_volume [354.2826]
_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
[
  Ba  Ba0  2  0.2523  0.2500  0.0610  1.0
  Er  Er1  2  0.2196  0.2500  0.5523  1.0
  Ga  Ga2  2  0.2350  0.7500  0.3286  1.0
  S  S3  4  0.0069  0.5061  0.7140  1.0
  S  S4  2  0.4338  0.7500  0.1507  1.0
  S  S5  2  0.4593  0.7500  0.5876  1.0
]