# generated using pymatgen
data_Ca2CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02244576
_cell_length_b   6.02244576
_cell_length_c   6.65738516
_cell_angle_alpha   62.89932600
_cell_angle_beta   62.89932600
_cell_angle_gamma   49.15587988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrN2
_chemical_formula_sum   'Ca4 Cr2 N4'
_cell_volume   158.09237101
_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  0.31940400  0.31940400  0.61365500  1.0
  Ca  Ca1  1  0.68059600  0.68059600  0.38634500  1.0
  Ca  Ca2  1  0.96156500  0.96156500  0.78088700  1.0
  Ca  Ca3  1  0.03843500  0.03843500  0.21911300  1.0
  Cr  Cr4  1  0.63159700  0.63159700  0.86544900  1.0
  Cr  Cr5  1  0.36840300  0.36840300  0.13455100  1.0
  N  N6  1  0.80622700  0.80622700  0.62813600  1.0
  N  N7  1  0.19377300  0.19377300  0.37186400  1.0
  N  N8  1  0.51166300  0.51166300  0.19829100  1.0
  N  N9  1  0.48833700  0.48833700  0.80170900  1.0