# generated using pymatgen
data_Ca3Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40326350
_cell_length_b   10.02344880
_cell_length_c   5.41931600
_cell_angle_alpha   90.00010277
_cell_angle_beta   90.00129421
_cell_angle_gamma   105.63723789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Cr2O7
_chemical_formula_sum   'Ca6 Cr4 O14'
_cell_volume   282.64316519
_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  0.75643600  0.99997900  0.71042300  1.0
  Ca  Ca1  1  0.24352400  0.99996900  0.21044000  1.0
  Ca  Ca2  1  0.57265600  0.62822400  0.78599000  1.0
  Ca  Ca3  1  0.42733600  0.37179100  0.28594900  1.0
  Ca  Ca4  1  0.94445100  0.37180400  0.78590800  1.0
  Ca  Ca5  1  0.05556400  0.62822900  0.28586800  1.0
  Cr  Cr6  1  0.84745700  0.19735300  0.25109200  1.0
  Cr  Cr7  1  0.15256400  0.80264600  0.75111600  1.0
  Cr  Cr8  1  0.34997300  0.19744300  0.75110200  1.0
  Cr  Cr9  1  0.65005400  0.80255200  0.25111000  1.0
  O  O10  1  0.31667500  0.99987500  0.76458300  1.0
  O  O11  1  0.68330300  0.00011400  0.26463900  1.0
  O  O12  1  0.99822400  0.60728800  0.73435900  1.0
  O  O13  1  0.00174900  0.39275300  0.23425800  1.0
  O  O14  1  0.60907200  0.60717100  0.23418300  1.0
  O  O15  1  0.39094400  0.39281800  0.73414600  1.0
  O  O16  1  0.34435700  0.77868600  0.03520600  1.0
  O  O17  1  0.65567900  0.22135100  0.53518800  1.0
  O  O18  1  0.43462300  0.77879600  0.53520200  1.0
  O  O19  1  0.56537600  0.22118700  0.03517800  1.0
  O  O20  1  0.86984200  0.83192000  0.96602600  1.0
  O  O21  1  0.13014000  0.16807000  0.46600500  1.0
  O  O22  1  0.03817900  0.16817700  0.96601000  1.0
  O  O23  1  0.96182100  0.83180600  0.46602100  1.0