data_[Ce4Ga3Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2445]
_cell_length_b [4.4635]
_cell_length_c [11.3939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce4Ga3Sn]
_chemical_formula_sum '[Ce4 Ga3 Sn1]'
_cell_volume [215.8629]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.8511  1.0
  Ce  Ce1  1  0.0000  0.5000  0.3603  1.0
  Ce  Ce2  1  0.5000  0.0000  0.1475  1.0
  Ce  Ce3  1  0.5000  0.5000  0.6326  1.0
  Ga  Ga4  1  0.0000  0.0000  0.5688  1.0
  Ga  Ga5  1  0.0000  0.5000  0.0839  1.0
  Ga  Ga6  1  0.5000  0.0000  0.4285  1.0
  Sn  Sn7  1  0.5000  0.5000  0.9274  1.0
]