# generated using pymatgen
data_Ca3MnCrC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13440764
_cell_length_b   8.13440666
_cell_length_c   5.11958093
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3MnCrC6
_chemical_formula_sum   'Ca6 Mn2 Cr2 C12'
_cell_volume   293.37078801
_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  0.60542617  0.68669643  0.75000000  1.0
  Ca  Ca1  1  0.91873073  0.60542617  0.25000000  1.0
  Ca  Ca2  1  0.68669643  0.08126927  0.25000000  1.0
  Ca  Ca3  1  0.31330357  0.91873073  0.75000000  1.0
  Ca  Ca4  1  0.08126927  0.39457383  0.75000000  1.0
  Ca  Ca5  1  0.39457383  0.31330357  0.25000000  1.0
  Mn  Mn6  1  0.66666700  0.33333300  0.75000000  1.0
  Mn  Mn7  1  0.33333300  0.66666700  0.25000000  1.0
  Cr  Cr8  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr9  1  0.00000000  0.00000000  0.00000000  1.0
  C  C10  1  0.95097932  0.77060416  0.75000000  1.0
  C  C11  1  0.18037517  0.95097932  0.25000000  1.0
  C  C12  1  0.77060416  0.81962483  0.25000000  1.0
  C  C13  1  0.22939584  0.18037517  0.75000000  1.0
  C  C14  1  0.81962483  0.04902068  0.75000000  1.0
  C  C15  1  0.04902068  0.22939584  0.25000000  1.0
  C  C16  1  0.85461811  0.58066441  0.75000000  1.0
  C  C17  1  0.27395270  0.85461811  0.25000000  1.0
  C  C18  1  0.58066441  0.72604730  0.25000000  1.0
  C  C19  1  0.41933559  0.27395270  0.75000000  1.0
  C  C20  1  0.14538189  0.41933559  0.25000000  1.0
  C  C21  1  0.72604730  0.14538189  0.75000000  1.0