# generated using pymatgen
data_Ca2Mn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54462408
_cell_length_b   9.54462486
_cell_length_c   3.54709095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mn12P7
_chemical_formula_sum   'Ca2 Mn12 P7'
_cell_volume   279.84701294
_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  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.50000000  1.0
  Mn  Mn2  1  0.61727334  0.57101303  0.00000000  1.0
  Mn  Mn3  1  0.95373969  0.38272666  0.00000000  1.0
  Mn  Mn4  1  0.42898697  0.04626031  0.00000000  1.0
  Mn  Mn5  1  0.11769273  0.83761506  0.00000000  1.0
  Mn  Mn6  1  0.71992233  0.88230727  0.00000000  1.0
  Mn  Mn7  1  0.16238494  0.28007767  0.00000000  1.0
  Mn  Mn8  1  0.04851839  0.61738978  0.50000000  1.0
  Mn  Mn9  1  0.56887240  0.95148161  0.50000000  1.0
  Mn  Mn10  1  0.38261022  0.43112760  0.50000000  1.0
  Mn  Mn11  1  0.86659485  0.77807179  0.50000000  1.0
  Mn  Mn12  1  0.91147694  0.13340515  0.50000000  1.0
  Mn  Mn13  1  0.22192821  0.08852306  0.50000000  1.0
  P  P14  1  0.87848584  0.58675959  0.00000000  1.0
  P  P15  1  0.70827375  0.12151416  0.00000000  1.0
  P  P16  1  0.41324041  0.29172625  0.00000000  1.0
  P  P17  1  0.29195330  0.87167558  0.50000000  1.0
  P  P18  1  0.57972228  0.70804670  0.50000000  1.0
  P  P19  1  0.12832442  0.42027772  0.50000000  1.0
  P  P20  1  0.00000000  0.00000000  0.00000000  1.0