data_[Cs2Er2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2893]
_cell_length_b [4.1187]
_cell_length_c [10.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsErMgS3]
_chemical_formula_sum '[Cs2 Er2 Mg2 S6]'
_cell_volume [361.0169]
_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
[
  Cs  Cs0  2  0.2197  0.2500  0.2378  1.0
  Er  Er1  2  0.3341  0.7500  0.8690  1.0
  Mg  Mg2  2  0.0845  0.2500  0.6135  1.0
  S  S3  2  0.1323  0.2500  0.8622  1.0
  S  S4  2  0.1912  0.7500  0.5537  1.0
  S  S5  2  0.4789  0.7500  0.1477  1.0
]