# generated using pymatgen
data_Ca2NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90625458
_cell_length_b   6.90625444
_cell_length_c   6.90625399
_cell_angle_alpha   30.71255330
_cell_angle_beta   30.71255708
_cell_angle_gamma   30.71255318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NCl
_chemical_formula_sum   'Ca2 N1 Cl1'
_cell_volume   76.19094355
_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  0.77112642  0.77112642  0.77112642  1.0
  Ca  Ca1  1  0.22887358  0.22887358  0.22887358  1.0
  N  N2  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl3  1  0.00000000  -0.00000000  0.00000000  1.0