data_[Er2W2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9634]
_cell_length_b [3.1957]
_cell_length_c [5.9646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErWC3]
_chemical_formula_sum '[Er2 W2 C6]'
_cell_volume [112.4431]
_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  0.2452  0.7500  0.8960  1
  W  W1  2  0.3064  0.2500  0.3849  1
  C  C2  2  0.0026  0.2500  0.5612  1
  C  C3  2  0.0680  0.7500  0.2239  1
  C  C4  2  0.4900  0.2500  0.7260  1
]