data_[Er2Mn2In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.6584]
_cell_length_b [4.2326]
_cell_length_c [7.4349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErMnIn4]
_chemical_formula_sum '[Er2 Mn2 In8]'
_cell_volume [272.4740]
_cell_formula_units_Z [2]
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  2  0.2500  0.0000  0.3991  1
  Mn  Mn1  2  0.2500  0.0000  0.7988  1
  In  In2  4  0.0650  0.5000  0.6805  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.2500  0.5000  0.0705  1
]