data_[Er4Mn40Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2007]
_cell_length_b [9.5783]
_cell_length_c [8.0856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er(Mn5Si)2]
_chemical_formula_sum '[Er4 Mn40 Si8]'
_cell_volume [635.1142]
_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  0.0000  0.1300  0.2500  1
  Mn  Mn1  8  0.0000  0.1753  0.6086  1
  Mn  Mn2  8  0.0000  0.3964  0.0653  1
  Mn  Mn3  8  0.1337  0.3908  0.7500  1
  Mn  Mn4  8  0.2121  0.0000  0.0000  1
  Mn  Mn5  8  0.2480  0.1215  0.7500  1
  Si  Si6  8  0.2500  0.2500  0.0000  1
]