data_K2CaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   3.86
_cell_angle_alpha   102.13
_cell_angle_beta   102.13
_cell_angle_gamma   125.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaMn
_chemical_formula_sum   'K2 Ca1 Mn1'
_cell_volume   167.18
_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
  K  K1  1  0.9  0.42  0.72  1.0
  K  K2  1  0.9  0.58  0.72  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.56  0.0  0.0  1.0

data_K2CaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   6.36
_cell_length_c   7.7
_cell_angle_alpha   112.86
_cell_angle_beta   102.13
_cell_angle_gamma   95.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaMn
_chemical_formula_sum   'K2 Ca1 Mn1'
_cell_volume   167.18
_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
  K  K0  1  0.14  0.42  0.32  1.0
  K  K1  1  0.3  0.58  0.48  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  -0.0  0.0  0.56  1.0

K K Ca Mn