data_[Sb2As2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6888]
_cell_length_b [4.0117]
_cell_length_c [7.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SbAsC]
_chemical_formula_sum '[Sb2 As2 C2]'
_cell_volume [133.4273]
_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
[
  Sb  Sb0  1  0.7637  0.0000  0.6820  1
  Sb  Sb1  1  0.8025  0.5000  0.0589  1
  As  As2  1  0.2091  0.0000  0.3937  1
  As  As3  1  0.4129  0.0000  0.0482  1
  C  C4  2  0.4577  0.3348  0.5271  1
]