data_[Er4Mn4Si8]
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 [3.8893]
_cell_length_b [17.1880]
_cell_length_c [3.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErMnSi2]
_chemical_formula_sum '[Er4 Mn4 Si8]'
_cell_volume [264.6676]
_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  0.1016  0.7500  1.0
  Mn  Mn1  4  0.0000  0.2512  0.2500  1.0
  Si  Si2  4  0.0000  0.3256  0.7500  1.0
  Si  Si3  4  0.0000  0.4653  0.7500  1.0
]