data_[Ca2Ho2Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6035]
_cell_length_b [5.5224]
_cell_length_c [5.3213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaHoMn2O6]
_chemical_formula_sum '[Ca2 Ho2 Mn4 O12]'
_cell_volume [223.4426]
_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  2  0.0000  0.1974  0.4880  1.0
  Ho  Ho1  2  0.0000  0.6851  0.0179  1.0
  Mn  Mn2  4  0.2500  0.7539  0.5005  1.0
  O  O3  4  0.1988  0.9473  0.1964  1.0
  O  O4  4  0.2026  0.4615  0.2903  1.0
  O  O5  2  0.0000  0.2813  0.9161  1.0
  O  O6  2  0.0000  0.7746  0.6035  1.0
]