data_[Er4Mg4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0804]
_cell_length_b [4.0159]
_cell_length_c [7.1661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMgCo]
_chemical_formula_sum '[Er4 Mg4 Co4]'
_cell_volume [239.8551]
_cell_formula_units_Z [4]
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  4  0.0804  0.5000  0.3451  1.0
  Mg  Mg1  4  0.1857  0.0000  0.0800  1.0
  Co  Co2  4  0.1271  0.0000  0.6499  1.0
]