data_[Er6Mn48Mo3]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6717]
_cell_length_b [8.6717]
_cell_length_c [11.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er2Mn16Mo]
_chemical_formula_sum '[Er6 Mn48 Mo3]'
_cell_volume [761.8800]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3571  1
  Er  Er1  3  0.0000  0.0000  0.6466  1
  Mn  Mn2  18  0.0549  0.3875  0.6651  1
  Mn  Mn3  9  0.0009  0.5004  0.5003  1
  Mn  Mn4  9  0.0081  0.5041  0.8657  1
  Mn  Mn5  9  0.1730  0.3460  0.4708  1
  Mn  Mn6  3  0.0000  0.0000  0.8958  1
  Mo  Mo7  3  0.0000  0.0000  0.0997  1
]