data_[Er1Cr2Si2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9599]
_cell_length_b [3.9599]
_cell_length_c [5.2068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ErCr2Si2C]
_chemical_formula_sum '[Er1 Cr2 Si2 C1]'
_cell_volume [81.6462]
_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  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.5000  0.0000  1.0
  Si  Si2  2  0.5000  0.5000  0.2704  1.0
  C  C3  1  0.0000  0.0000  0.0000  1.0
]