# generated using pymatgen
data_Ca4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15477200
_cell_length_b   4.92503400
_cell_length_c   10.91117800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4MnN4
_chemical_formula_sum   'Ca16 Mn4 N16'
_cell_volume   599.43427469
_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  0.09756100  0.25000000  0.18515100  1.0
  Ca  Ca1  1  0.59756100  0.25000000  0.31484900  1.0
  Ca  Ca2  1  0.90243900  0.75000000  0.81484900  1.0
  Ca  Ca3  1  0.40243900  0.75000000  0.68515100  1.0
  Ca  Ca4  1  0.76989900  0.25000000  0.97411000  1.0
  Ca  Ca5  1  0.26989900  0.25000000  0.52589000  1.0
  Ca  Ca6  1  0.23010100  0.75000000  0.02589000  1.0
  Ca  Ca7  1  0.73010100  0.75000000  0.47411000  1.0
  Ca  Ca8  1  0.44059200  0.25000000  0.88845900  1.0
  Ca  Ca9  1  0.94059200  0.25000000  0.61154100  1.0
  Ca  Ca10  1  0.55940800  0.75000000  0.11154100  1.0
  Ca  Ca11  1  0.05940800  0.75000000  0.38845900  1.0
  Ca  Ca12  1  0.12905300  0.25000000  0.84192000  1.0
  Ca  Ca13  1  0.62905300  0.25000000  0.65808000  1.0
  Ca  Ca14  1  0.87094700  0.75000000  0.15808000  1.0
  Ca  Ca15  1  0.37094700  0.75000000  0.34192000  1.0
  Mn  Mn16  1  0.36835700  0.25000000  0.15062400  1.0
  Mn  Mn17  1  0.86835700  0.25000000  0.34937600  1.0
  Mn  Mn18  1  0.63164300  0.75000000  0.84937600  1.0
  Mn  Mn19  1  0.13164300  0.75000000  0.65062400  1.0
  N  N20  1  0.82355900  0.25000000  0.20079600  1.0
  N  N21  1  0.32355900  0.25000000  0.29920400  1.0
  N  N22  1  0.17644100  0.75000000  0.79920400  1.0
  N  N23  1  0.67644100  0.75000000  0.70079600  1.0
  N  N24  1  0.92481200  0.25000000  0.83070900  1.0
  N  N25  1  0.42481200  0.25000000  0.66929100  1.0
  N  N26  1  0.07518800  0.75000000  0.16929100  1.0
  N  N27  1  0.57518800  0.75000000  0.33070900  1.0
  N  N28  1  0.26289900  0.25000000  0.02622800  1.0
  N  N29  1  0.76289900  0.25000000  0.47377200  1.0
  N  N30  1  0.73710100  0.75000000  0.97377200  1.0
  N  N31  1  0.23710100  0.75000000  0.52622800  1.0
  N  N32  1  0.51327400  0.25000000  0.10599900  1.0
  N  N33  1  0.01327400  0.25000000  0.39400100  1.0
  N  N34  1  0.48672600  0.75000000  0.89400100  1.0
  N  N35  1  0.98672600  0.75000000  0.60599900  1.0