# generated using pymatgen
data_Ca(Mn5N4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41111664
_cell_length_b   3.82643823
_cell_length_c   7.56039218
_cell_angle_alpha   89.99999429
_cell_angle_beta   61.86254605
_cell_angle_gamma   76.85223531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Mn5N4)2
_chemical_formula_sum   'Ca1 Mn10 N8'
_cell_volume   207.31015619
_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
  Ca  Ca0  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.40116400  0.79941800  0.81816800  1.0
  Mn  Mn2  1  0.59883600  0.20058200  0.18183200  1.0
  Mn  Mn3  1  0.07768700  0.96115700  0.78800300  1.0
  Mn  Mn4  1  0.92231300  0.03884300  0.21199700  1.0
  Mn  Mn5  1  0.64081000  0.67959500  0.44142900  1.0
  Mn  Mn6  1  0.35919000  0.32040500  0.55857100  1.0
  Mn  Mn7  1  0.82868300  0.58565900  0.99791600  1.0
  Mn  Mn8  1  0.17131700  0.41434100  0.00208400  1.0
  Mn  Mn9  1  0.36570300  0.81714900  0.20068600  1.0
  Mn  Mn10  1  0.63429700  0.18285100  0.79931400  1.0
  N  N11  1  0.19643300  0.90178400  0.08965700  1.0
  N  N12  1  0.80356700  0.09821600  0.91034300  1.0
  N  N13  1  0.35859800  0.82070100  0.60057200  1.0
  N  N14  1  0.64140200  0.17929900  0.39942800  1.0
  N  N15  1  0.66145800  0.66927100  0.70115000  1.0
  N  N16  1  0.33854200  0.33072900  0.29885000  1.0
  N  N17  1  0.90698600  0.54650600  0.22884200  1.0
  N  N18  1  0.09301400  0.45349400  0.77115800  1.0