data_[Mn4Ga2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2239]
_cell_length_b [2.7710]
_cell_length_c [6.3566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn2GaN]
_chemical_formula_sum '[Mn4 Ga2 N2]'
_cell_volume [90.6155]
_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
[
  Mn  Mn0  1  0.1374  0.5000  0.8871  1.0
  Mn  Mn1  1  0.2834  0.5000  0.5257  1.0
  Mn  Mn2  1  0.4770  0.0000  0.1969  1.0
  Mn  Mn3  1  0.7896  0.0000  0.5572  1.0
  Ga  Ga4  1  0.6338  0.5000  0.8921  1.0
  Ga  Ga5  1  0.9949  0.0000  0.1973  1.0
  N  N6  1  0.1418  0.0000  0.6821  1.0
  N  N7  1  0.5801  0.5000  0.3984  1.0
]