data_[Nd2Mn2B2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6115]
_cell_length_b [3.6115]
_cell_length_c [8.1894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [NdMnBC]
_chemical_formula_sum '[Nd2 Mn2 B2 C2]'
_cell_volume [106.8132]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.8338  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  B  B2  2  0.0000  0.5000  0.3352  1
  C  C3  2  0.0000  0.5000  0.1513  1
]