data_[Er4Mn8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8319]
_cell_length_b [12.5365]
_cell_length_c [12.6560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er(MnSe2)2]
_chemical_formula_sum '[Er4 Mn8 Se16]'
_cell_volume [607.9776]
_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  0.3846  0.2500  1.0
  Mn  Mn1  8  0.0000  0.1318  0.0674  1.0
  Se  Se2  8  0.0000  0.2232  0.6136  1.0
  Se  Se3  4  0.0000  0.0501  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]