data_[Er6Lu1Mg1]
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 [P-6m2]
_cell_length_a [7.0199]
_cell_length_b [7.0199]
_cell_length_c [5.5369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Er6LuMg]
_chemical_formula_sum '[Er6 Lu1 Mg1]'
_cell_volume [236.2981]
_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  3  0.0059  0.5029  0.5000  1
  Er  Er1  3  0.3324  0.1662  0.0000  1
  Lu  Lu2  1  0.3333  0.6667  0.0000  1
  Mg  Mg3  1  0.0000  0.0000  0.5000  1
]