data_CaMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.46
_cell_angle_alpha   110.24
_cell_angle_beta   110.24
_cell_angle_gamma   59.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnP2
_chemical_formula_sum   'Ca1 Mn1 P2'
_cell_volume   65.3
_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  0.31  0.0  0.5  1.0
  P  P2  1  0.55  0.0  0.85  1.0
  P  P3  1  0.07  0.0  0.16  1.0

data_CaMnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.9
_cell_length_c   5.46
_cell_angle_alpha   110.24
_cell_angle_beta   90.0
_cell_angle_gamma   119.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnP2
_chemical_formula_sum   'Ca1 Mn1 P2'
_cell_volume   65.3
_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  0.0  0.69  0.5  1.0
  P  P2  1  0.0  0.45  0.15  1.0
  P  P3  1  0.0  0.93  0.84  1.0

Ca Mn P P