# generated using pymatgen
data_Ca7Ac(MnN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93518434
_cell_length_b   5.93518418
_cell_length_c   11.71231079
_cell_angle_alpha   90.81381714
_cell_angle_beta   89.18618437
_cell_angle_gamma   125.23800047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Ac(MnN3)4
_chemical_formula_sum   'Ca7 Ac1 Mn4 N12'
_cell_volume   336.93891906
_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  0.55227108  0.44772892  0.65071210  1.0
  Ca  Ca1  1  0.04849016  0.95150984  0.85348150  1.0
  Ca  Ca2  1  0.94083842  0.05916158  0.13625319  1.0
  Ca  Ca3  1  0.14418002  0.85581998  0.43029794  1.0
  Ca  Ca4  1  0.86356922  0.13643078  0.57923285  1.0
  Ca  Ca5  1  0.35838890  0.64161110  0.92308010  1.0
  Ca  Ca6  1  0.63528804  0.36471196  0.07158778  1.0
  Ac  Ac7  1  0.45739413  0.54260587  0.34864837  1.0
  Mn  Mn8  1  0.24525555  0.75474445  0.15919493  1.0
  Mn  Mn9  1  0.74527755  0.25472245  0.83814222  1.0
  Mn  Mn10  1  0.24708725  0.75291275  0.66355467  1.0
  Mn  Mn11  1  0.75948156  0.24051844  0.34073279  1.0
  N  N12  1  0.15048990  0.84951010  0.03835378  1.0
  N  N13  1  0.83788060  0.16211940  0.95953281  1.0
  N  N14  1  0.34529573  0.65470427  0.54064361  1.0
  N  N15  1  0.66503802  0.33496198  0.46661309  1.0
  N  N16  1  0.41483214  0.58516786  0.12944189  1.0
  N  N17  1  0.57860837  0.42139163  0.86352725  1.0
  N  N18  1  0.08122154  0.91877846  0.63798558  1.0
  N  N19  1  0.92800238  0.07199762  0.36407348  1.0
  N  N20  1  0.95848184  0.53816217  0.25197347  1.0
  N  N21  1  0.54056984  0.95977705  0.75048006  1.0
  N  N22  1  0.04022295  0.45943016  0.75048006  1.0
  N  N23  1  0.46183783  0.04151816  0.25197347  1.0