# generated using pymatgen
data_Ca3(MnN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64061100
_cell_length_b   9.62142700
_cell_length_c   9.05916600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(MnN2)2
_chemical_formula_sum   'Ca12 Mn8 N16'
_cell_volume   491.64752458
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.61652900  0.15600500  0.41708500  1.0
  Ca  Ca1  1  0.88347100  0.84399500  0.41708500  1.0
  Ca  Ca2  1  0.61652900  0.34399500  0.08291500  1.0
  Ca  Ca3  1  0.88347100  0.65600500  0.08291500  1.0
  Ca  Ca4  1  0.38347100  0.84399500  0.58291500  1.0
  Ca  Ca5  1  0.11652900  0.15600500  0.58291500  1.0
  Ca  Ca6  1  0.38347100  0.65600500  0.91708500  1.0
  Ca  Ca7  1  0.11652900  0.34399500  0.91708500  1.0
  Ca  Ca8  1  0.75000000  0.50000000  0.40286500  1.0
  Ca  Ca9  1  0.75000000  0.00000000  0.09713500  1.0
  Ca  Ca10  1  0.25000000  0.50000000  0.59713500  1.0
  Ca  Ca11  1  0.25000000  0.00000000  0.90286500  1.0
  Mn  Mn12  1  0.75000000  0.50000000  0.73397300  1.0
  Mn  Mn13  1  0.75000000  0.00000000  0.76602700  1.0
  Mn  Mn14  1  0.25000000  0.50000000  0.26602600  1.0
  Mn  Mn15  1  0.25000000  0.00000000  0.23397400  1.0
  Mn  Mn16  1  0.65207900  0.25000000  0.75000000  1.0
  Mn  Mn17  1  0.84792100  0.75000000  0.75000000  1.0
  Mn  Mn18  1  0.34792100  0.75000000  0.25000000  1.0
  Mn  Mn19  1  0.15207900  0.25000000  0.25000000  1.0
  N  N20  1  0.87823700  0.35778600  0.62371200  1.0
  N  N21  1  0.62176300  0.64221400  0.62371200  1.0
  N  N22  1  0.87823700  0.14221400  0.87628800  1.0
  N  N23  1  0.62176300  0.85778600  0.87628800  1.0
  N  N24  1  0.12176300  0.64221400  0.37628800  1.0
  N  N25  1  0.37823700  0.35778600  0.37628800  1.0
  N  N26  1  0.12176300  0.85778600  0.12371200  1.0
  N  N27  1  0.37823700  0.14221400  0.12371200  1.0
  N  N28  1  0.50462600  0.41486000  0.83613100  1.0
  N  N29  1  0.99537400  0.58514000  0.83613100  1.0
  N  N30  1  0.50462600  0.08514000  0.66386900  1.0
  N  N31  1  0.99537400  0.91486000  0.66386900  1.0
  N  N32  1  0.49537400  0.58514000  0.16386900  1.0
  N  N33  1  0.00462600  0.41486000  0.16386900  1.0
  N  N34  1  0.49537400  0.91486000  0.33613100  1.0
  N  N35  1  0.00462600  0.08514000  0.33613100  1.0