data_[Er2Mg6Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2501]
_cell_length_b [5.7575]
_cell_length_c [7.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErMg3Ni]
_chemical_formula_sum '[Er2 Mg6 Ni2]'
_cell_volume [210.8342]
_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  0.1144  0.2500  0.4057  1
  Mg  Mg1  4  0.4765  0.5024  0.7893  1
  Mg  Mg2  2  0.0086  0.2500  0.8980  1
  Ni  Ni3  2  0.3294  0.7500  0.4648  1
]