data_[Er2Mg8Pb14]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7609]
_cell_length_b [5.8456]
_cell_length_c [10.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMg4Pb7]
_chemical_formula_sum '[Er2 Mg8 Pb14]'
_cell_volume [710.1184]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0584  0.5000  0.7702  1
  Mg  Mg2  4  0.2077  0.5000  0.3216  1
  Pb  Pb3  4  0.0802  0.0000  0.3587  1
  Pb  Pb4  4  0.1585  0.5000  0.5854  1
  Pb  Pb5  4  0.2084  0.0000  0.8915  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]