data_[Mn1Co3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5739]
_cell_length_b [17.9244]
_cell_length_c [4.8980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn(CoN)3]
_chemical_formula_sum '[Mn1 Co3 N3]'
_cell_volume [296.9627]
_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
[
  Mn  Mn0  1  0.4917  0.5000  0.3681  1
  Co  Co1  2  0.0833  0.4263  0.5714  1
  Co  Co2  1  0.7070  0.5000  0.8822  1
  N  N3  2  0.6077  0.4184  0.6276  1
  N  N4  1  0.9482  0.5000  0.2679  1
]