data_[Ba4Er2Ga2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4158]
_cell_length_b [8.7442]
_cell_length_c [9.5555]
_cell_angle_alpha [103.4010]
_cell_angle_beta [103.0245]
_cell_angle_gamma [107.3167]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2ErGaSe5]
_chemical_formula_sum '[Ba4 Er2 Ga2 Se10]'
_cell_volume [545.7677]
_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  0.3481  0.5135  0.7104  1.0
  Ba  Ba1  2  0.3695  0.0230  0.7134  1.0
  Er  Er2  2  0.0021  0.2703  0.0018  1.0
  Ga  Ga3  2  0.1890  0.1261  0.3107  1.0
  Se  Se4  2  0.0084  0.3166  0.3103  1.0
  Se  Se5  2  0.0096  0.8424  0.3073  1.0
  Se  Se6  2  0.2827  0.0900  0.0723  1.0
  Se  Se7  2  0.2901  0.5880  0.0547  1.0
  Se  Se8  2  0.4949  0.7443  0.4948  1.0
]