data_[Er4Ni2C5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5973]
_cell_length_b [11.5395]
_cell_length_c [3.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4Ni2C5]
_chemical_formula_sum '[Er4 Ni2 C5]'
_cell_volume [152.7162]
_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  2  0.5000  0.2032  0.5037  1.0
  Er  Er1  1  0.0000  0.0000  0.9995  1.0
  Er  Er2  1  0.5000  0.5000  0.2091  1.0
  Ni  Ni3  2  0.0000  0.3841  0.6985  1.0
  C  C4  2  0.0000  0.2290  0.0005  1.0
  C  C5  2  0.0000  0.3318  0.1973  1.0
  C  C6  1  0.5000  0.0000  0.4929  1.0
]