data_[Sc4Mn4Ga4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4266]
_cell_length_b [3.3414]
_cell_length_c [7.0154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Mn2Ga2C]
_chemical_formula_sum '[Sc4 Mn4 Ga4 C2]'
_cell_volume [205.7396]
_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
[
  Sc  Sc0  4  0.0631  0.5000  0.2663  1.0
  Mn  Mn1  4  0.1949  0.0000  0.0559  1.0
  Ga  Ga2  4  0.1393  0.0000  0.6561  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]