data_[Zr14In4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2807]
_cell_length_b [9.7644]
_cell_length_c [6.2300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr7(InC)2]
_chemical_formula_sum '[Zr14 In4 C4]'
_cell_volume [442.9002]
_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
[
  Zr  Zr0  8  0.2500  0.2500  0.2328  1
  Zr  Zr1  4  0.0000  0.5000  0.2258  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1816  0.0000  0.5000  1
  C  C4  4  0.0000  0.2678  0.0000  1
]