data_[Nd4Co1Cu1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1296]
_cell_length_b [4.0830]
_cell_length_c [8.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4CoCuBr2]
_chemical_formula_sum '[Nd4 Co1 Cu1 Br2]'
_cell_volume [225.4946]
_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
[
  Nd  Nd0  2  0.2510  0.5000  0.1985  1.0
  Nd  Nd1  2  0.2769  0.0000  0.8064  1.0
  Co  Co2  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]