data_[Er4Lu2Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Lu  1.2700  1.7500  1.0010
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3010]
_cell_length_b [7.0790]
_cell_length_c [10.9567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Er2LuMg5]
_chemical_formula_sum '[Er4 Lu2 Mg10]'
_cell_volume [411.1618]
_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  0.3387  1
  Er  Er1  2  0.5000  0.0000  0.6565  1
  Lu  Lu2  2  0.0000  0.0000  0.8625  1
  Mg  Mg3  4  0.0000  0.2389  0.5970  1
  Mg  Mg4  4  0.5000  0.2436  0.4031  1
  Mg  Mg5  2  0.5000  0.0000  0.1422  1
]