# generated using pymatgen
data_Li3CaMnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04066395
_cell_length_b   7.04066395
_cell_length_c   7.04066408
_cell_angle_alpha   48.22715881
_cell_angle_beta   48.22715881
_cell_angle_gamma   48.22716423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CaMnN3
_chemical_formula_sum   'Li6 Ca2 Mn2 N6'
_cell_volume   177.93119964
_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
  Li  Li0  1  0.47872000  0.89467400  0.23997200  1
  Li  Li1  1  0.89467400  0.23997200  0.47872000  1
  Li  Li2  1  0.76002800  0.52128000  0.10532600  1
  Li  Li3  1  0.52128000  0.10532600  0.76002800  1
  Li  Li4  1  0.10532600  0.76002800  0.52128000  1
  Li  Li5  1  0.23997200  0.47872000  0.89467400  1
  Ca  Ca6  1  0.33740200  0.33740200  0.33740200  1
  Ca  Ca7  1  0.66259800  0.66259800  0.66259800  1
  Mn  Mn8  1  0.93496500  0.93496500  0.93496500  1
  Mn  Mn9  1  0.06503500  0.06503500  0.06503500  1
  N  N10  1  0.21597800  0.90824800  0.61682000  1
  N  N11  1  0.61682000  0.21597800  0.90824800  1
  N  N12  1  0.78402200  0.09175200  0.38318000  1
  N  N13  1  0.09175200  0.38318000  0.78402200  1
  N  N14  1  0.38318000  0.78402200  0.09175200  1
  N  N15  1  0.90824800  0.61682000  0.21597800  1
