data_[Ca2Pm1Mn1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8603]
_cell_length_b [3.4007]
_cell_length_c [5.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2PmMnO4]
_chemical_formula_sum '[Ca2 Pm1 Mn1 O4]'
_cell_volume [111.7865]
_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  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Pm  Pm2  1  0.5000  0.5000  0.0000  1
  Mn  Mn3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.2417  0.5000  0.2420  1
  O  O5  2  0.2427  0.0000  0.7447  1
]