# generated using pymatgen
data_Ca2Co2CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25212425
_cell_length_b   6.25212488
_cell_length_c   6.12006403
_cell_angle_alpha   88.56997552
_cell_angle_beta   88.56997920
_cell_angle_gamma   118.96372237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Co2CuN3
_chemical_formula_sum   'Ca4 Co4 Cu2 N6'
_cell_volume   209.05362330
_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  0.81861519  0.67864943  0.90032807  1.0
  Ca  Ca1  1  0.32135057  0.18138481  0.59967193  1.0
  Ca  Ca2  1  0.18138481  0.32135057  0.09967193  1.0
  Ca  Ca3  1  0.67864943  0.81861519  0.40032807  1.0
  Co  Co4  1  0.56966254  0.16433185  0.10823794  1.0
  Co  Co5  1  0.43033746  0.83566815  0.89176206  1.0
  Co  Co6  1  0.83566815  0.43033746  0.39176206  1.0
  Co  Co7  1  0.16433185  0.56966254  0.60823794  1.0
  Cu  Cu8  1  0.82989370  0.17010630  0.75000000  1.0
  Cu  Cu9  1  0.17010630  0.82989370  0.25000000  1.0
  N  N10  1  0.42048750  0.57951250  0.75000000  1.0
  N  N11  1  0.57951250  0.42048750  0.25000000  1.0
  N  N12  1  0.99933300  0.73341676  0.52532266  1.0
  N  N13  1  0.73341676  0.99933300  0.02532266  1.0
  N  N14  1  0.00066700  0.26658324  0.47467734  1.0
  N  N15  1  0.26658324  0.00066700  0.97467734  1.0