data_[Er2Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4691]
_cell_length_b [3.2544]
_cell_length_c [7.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ErMg5]
_chemical_formula_sum '[Er2 Mg10]'
_cell_volume [295.0832]
_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  0.3840  0.0000  0.2659  1.0
  Mg  Mg1  2  0.0090  0.0000  0.0019  1.0
  Mg  Mg2  2  0.0562  0.0000  0.6117  1.0
  Mg  Mg3  2  0.1654  0.5000  0.3411  1.0
  Mg  Mg4  2  0.2149  0.5000  0.9341  1.0
  Mg  Mg5  2  0.3372  0.0000  0.6787  1.0
]