data_[Er4Zr4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6325]
_cell_length_b [3.5125]
_cell_length_c [5.9508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Zr2C3]
_chemical_formula_sum '[Er4 Zr4 C6]'
_cell_volume [236.8883]
_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  4  0.1197  0.5000  0.8688  1.0
  Zr  Zr1  4  0.1412  0.0000  0.3506  1.0
  C  C2  4  0.2439  0.5000  0.2678  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]