# generated using pymatgen
data_CaMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08863300
_cell_length_b   3.08871930
_cell_length_c   10.64574500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99908648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnN2
_chemical_formula_sum   'Ca2 Mn2 N4'
_cell_volume   87.95396804
_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
  Ca  Ca0  1  0.66674400  0.33348700  0.25000000  1.0
  Ca  Ca1  1  0.33325600  0.66651300  0.75000000  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.33337700  0.66675200  0.40188600  1.0
  N  N5  1  0.66662300  0.33324800  0.59811400  1.0
  N  N6  1  0.66662300  0.33324800  0.90188600  1.0
  N  N7  1  0.33337700  0.66675200  0.09811400  1.0