data_[Zr24Ga4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3963]
_cell_length_b [11.2775]
_cell_length_c [17.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr6GaC4]
_chemical_formula_sum '[Zr24 Ga4 C16]'
_cell_volume [677.9028]
_cell_formula_units_Z [4]
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  0.0000  0.0369  0.1496  1
  Zr  Zr1  8  0.0000  0.2258  0.5780  1
  Zr  Zr2  4  0.0000  0.3512  0.2500  1
  Zr  Zr3  4  0.0000  0.5000  0.0000  1
  Ga  Ga4  4  0.0000  0.3399  0.7500  1
  C  C5  8  0.0000  0.1388  0.0401  1
  C  C6  8  0.0000  0.4101  0.1226  1
]