data_[Er1Mn6Fe3]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7488]
_cell_length_b [4.8218]
_cell_length_c [6.6172]
_cell_angle_alpha [87.4255]
_cell_angle_beta [72.4773]
_cell_angle_gamma [63.3049]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er(Mn2Fe)3]
_chemical_formula_sum '[Er1 Mn6 Fe3]'
_cell_volume [128.3602]
_cell_formula_units_Z [1]
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  1  0.0082  0.1081  0.8808  1
  Mn  Mn1  1  0.1179  0.5616  0.6116  1
  Mn  Mn2  1  0.3456  0.9070  0.4152  1
  Mn  Mn3  1  0.4731  0.3439  0.2759  1
  Mn  Mn4  1  0.6202  0.5830  0.6508  1
  Mn  Mn5  1  0.6414  0.0824  0.6170  1
  Mn  Mn6  1  0.9406  0.3381  0.2999  1
  Fe  Fe7  1  0.2985  0.4586  0.9577  1
  Fe  Fe8  1  0.5973  0.7971  0.0268  1
  Fe  Fe9  1  0.9572  0.8201  0.2643  1
]