data_[Er2B3C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.3759]
_cell_length_b [3.5735]
_cell_length_c [7.0102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er2B3C2]
_chemical_formula_sum '[Er2 B3 C2]'
_cell_volume [82.6789]
_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  0.3477  0.5000  0.7262  1.0
  B  B1  2  0.2213  0.0000  0.4353  1.0
  B  B2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.1230  0.0000  0.2098  1.0
]