data_[Ce4Ge1As2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3380]
_cell_length_b [4.2617]
_cell_length_c [7.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4GeAs2Br]
_chemical_formula_sum '[Ce4 Ge1 As2 Br1]'
_cell_volume [217.3095]
_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  2  0.2553  0.0000  0.7448  1.0
  Ce  Ce1  2  0.2621  0.5000  0.2619  1.0
  Ge  Ge2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.0000  0.5000  0.5000  1.0
  As  As4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.0000  0.0000  0.0000  1.0
]