data_[Er8Mn16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7211]
_cell_length_b [5.2651]
_cell_length_c [8.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMn2]
_chemical_formula_sum '[Er8 Mn16]'
_cell_volume [382.2584]
_cell_formula_units_Z [8]
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  0.1657  0.5000  0.4365  1.0
  Er  Er1  4  0.1694  0.5000  0.0615  1.0
  Mn  Mn2  8  0.0847  0.2447  0.7444  1.0
  Mn  Mn3  4  0.1680  0.0000  0.2455  1.0
  Mn  Mn4  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn5  2  0.0000  0.0000  0.5000  1.0
]