# generated using pymatgen
data_SrCaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37614771
_cell_length_b   6.70519774
_cell_length_c   5.37627499
_cell_angle_alpha   66.36444933
_cell_angle_beta   90.00022608
_cell_angle_gamma   90.00008761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaMnO4
_chemical_formula_sum   'Sr2 Ca2 Mn2 O8'
_cell_volume   177.54720718
_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
  Sr  Sr0  1  0.50000100  0.70620400  0.14688000  1.0
  Sr  Sr1  1  0.99999800  0.70621900  0.64686900  1.0
  Ca  Ca2  1  0.99999800  0.28402500  0.35796900  1.0
  Ca  Ca3  1  0.50000100  0.28403800  0.85796500  1.0
  Mn  Mn4  1  0.50000600  0.00174500  0.49910700  1.0
  Mn  Mn5  1  0.99999700  0.00174400  0.99913700  1.0
  O  O6  1  0.00000100  0.67518900  0.16241000  1.0
  O  O7  1  0.49999900  0.67519500  0.66240900  1.0
  O  O8  1  0.49999900  0.31541100  0.34230900  1.0
  O  O9  1  0.00000100  0.31542800  0.84229800  1.0
  O  O10  1  0.74999400  0.00870000  0.74565700  1.0
  O  O11  1  0.25000400  0.00870100  0.24566500  1.0
  O  O12  1  0.74999500  0.00870100  0.24566700  1.0
  O  O13  1  0.25000600  0.00870100  0.74565800  1.0