data_[Ba2Er2Mn2S8]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5557]
_cell_length_b [6.2984]
_cell_length_c [8.5866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaErMnS4]
_chemical_formula_sum '[Ba2 Er2 Mn2 S8]'
_cell_volume [337.3089]
_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  0.2575  0.7500  0.0606  1.0
  Er  Er1  2  0.2375  0.7500  0.5560  1.0
  Mn  Mn2  2  0.2326  0.2500  0.3275  1.0
  S  S3  4  0.0129  0.0079  0.7136  1.0
  S  S4  2  0.4280  0.2500  0.1484  1.0
  S  S5  2  0.4428  0.2500  0.5871  1.0
]