data_[Er4Mn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2412]
_cell_length_b [9.9447]
_cell_length_c [10.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErMnCl5]
_chemical_formula_sum '[Er4 Mn4 Cl20]'
_cell_volume [888.9519]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.5000  1
  Mn  Mn1  4  0.0000  0.1327  0.7500  1
  Cl  Cl2  8  0.1168  0.2861  0.6619  1
  Cl  Cl3  8  0.1766  0.0064  0.9628  1
  Cl  Cl4  4  0.0000  0.3196  0.2500  1
]