data_CaMn2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.81
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   101.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2V
_chemical_formula_sum   'Ca1 Mn2 V1'
_cell_volume   65.98
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.7  0.9  0.11  1.0
  Mn  Mn2  1  0.84  0.9  0.05  1.0
  V  V3  1  0.77  0.0  0.08  1.0

data_CaMn2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.81
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   101.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2V
_chemical_formula_sum   'Ca1 Mn2 V1'
_cell_volume   65.98
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.7  0.9  0.11  1.0
  Mn  Mn2  1  0.84  0.9  0.05  1.0
  V  V3  1  0.77  0.0  0.08  1.0

Ca Mn Mn V
Ca Mn Mn V 0 2 - - o 1 3 o + o 2 3 o + o 